Geometry & MOs

Info

ID:	236816
PubChem CID:	92714798
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	8.02
IP(EA), eV:	-8.45(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-methylphenyl)-2-[(6R)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NN(C(=O)C=C2C1)CC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations