Geometry & MOs

Info

ID:	236813
PubChem CID:	92714793
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	5.66
IP(EA), eV:	-8.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2C(=O)C=C3C[C@H](CCC3=N2)C

DOS

IR

Vibrations