Geometry & MOs

Info

ID:	236805
PubChem CID:	92714748
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	7.99
IP(EA), eV:	-8.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations