Geometry & MOs

Info

ID:	194895
PubChem CID:	78606020
Reduced:	O5H20C21 (1)
Stoich.:	A5B20C21 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	1.87
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[4-(dimethylamino)-3-nitrophenyl]-N-(2,4,6-trimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3)C

DOS

IR

Vibrations