Geometry & MOs

Info

ID:

314108

PubChem CID:

126620441

Reduced:

NS2H39C62 (1)

Stoich.:

AB2C39D62 (1)

Weight, g/mol:

286.10659

ΔHf, kcal/mol:

263.43

Dipole, Da:

3.64

IP(EA), eV:

 -8.15(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-oxo-N-pyrazin-2-yl-5,6,8,9-tetrahydro-1H-oxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)N(C=C4C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC(=CC(=C7)C8=CC=CC9=C8SC1=CC=CC=C91)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations