Geometry & MOs

Info

ID:	167643
PubChem CID:	74851683
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	283.084458
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	4.0
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 3-(3-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)NC2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations