Geometry & MOs

Info

ID:	213849
PubChem CID:	81065480
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	-145.67
Dipole, Da:	2.96
IP(EA), eV:	-9.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-bromophenyl)ethylcarbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC(C)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations