Geometry & MOs

Info

ID:	172889
PubChem CID:	75566421
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	399.231063
ΔH_f, kcal/mol:	8.11
Dipole, Da:	1.45
IP(EA), eV:	-7.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=NNC(=O)CNC3=CC(=C(C=C3)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations