Geometry & MOs

Info

ID:	194552
PubChem CID:	78554439
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	394.012327
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	2.14
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dichloroanilino)-2-oxoethyl] 3-(4-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)COC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations