Geometry & MOs

Info

ID:	28019
PubChem CID:	824902
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	3.25
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C=C(\C(=O)N)/NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations