Geometry & MOs

Info

ID:	183810
PubChem CID:	77073082
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	5.71
IP(EA), eV:	-9.46(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2-amino-2-oxoethyl)carbamoyl]-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2C)C=CC(=O)O

DOS

IR

Vibrations