Geometry & MOs

Info

ID:	195411
PubChem CID:	78683248
Reduced:	ON2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	374.066949
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	4.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778510
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitroanilino)-2-oxoethyl] 3-(3-chloro-4-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C[NH+](C)C(C)C(=O)N

DOS

IR

Vibrations