Geometry & MOs

Info

ID:	236812
PubChem CID:	92714774
Reduced:	FO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	7.11
IP(EA), eV:	-9.13(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-2-[(6S)-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=CC(=CC=C3)F

DOS

IR

Vibrations