Geometry & MOs

Info

ID:	236817
PubChem CID:	92714799
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	389.07389
ΔH_f, kcal/mol:	-97.02
Dipole, Da:	7.7
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-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(=C(C=C3)F)C

DOS

IR

Vibrations