Geometry & MOs

Info

ID:

318041

PubChem CID:

126648535

Reduced:

N6H68C93 (1)

Stoich.:

A6B68C93 (1)

Weight, g/mol:

235.095691

ΔHf, kcal/mol:

407.49

Dipole, Da:

2.55

IP(EA), eV:

 -7.91(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-cyclopropyl-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C(=CC=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC7=C(C=C6)C8=C(C=CC(=C8N7C9=CC=CC=C9)C1=CC=C(C=C1)N(C)C1=CC=CC=C1)C1=CC=C(C=C1)N(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC2=C1N(C1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations