Geometry & MOs

Info

ID:	361239
PubChem CID:	127302403
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	0.68
Dipole, Da:	6.99
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-pyridin-4-ylazepane-1-carbonyl)cinnolin-4-one

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)C3=NN(C4=CC=CC=C4C3=O)C)SC=C2

DOS

IR

Vibrations