Geometry & MOs

Info

ID:	194028
PubChem CID:	78471416
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	313.118832
ΔH_f, kcal/mol:	38.2
Dipole, Da:	5.11
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-3-(phenylcarbamoylamino)propanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C(C2=O)NCC

DOS

IR

Vibrations