Geometry & MOs

Info

ID:	177612
PubChem CID:	76203831
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	323.01571
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	2.8
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-bromophenyl)prop-2-enoyl-cyclopropylamino]acetic acid

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)O)C(=O)C=CC2=CC=CO2

DOS

IR

Vibrations