Geometry & MOs

Info

ID:	194896
PubChem CID:	78606021
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	27.35
Dipole, Da:	8.25
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-oxo-3-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C#N)C

DOS

IR

Vibrations