Geometry & MOs

Info

ID:	62928
PubChem CID:	26737662
Reduced:	O4N5H25C28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	416.123303
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	4.57
IP(EA), eV:	-8.32(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C[C@@H](CC2=O)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

DOS

IR

Vibrations