Geometry & MOs

Info

ID:	28000
PubChem CID:	824740
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	4.28
IP(EA), eV:	-8.23(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2[C@H](N1C)CC(=O)NC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations