Geometry & MOs

Info

ID:	213955
PubChem CID:	81065588
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	395.96431
ΔH_f, kcal/mol:	-135.28
Dipole, Da:	3.77
IP(EA), eV:	-9.35(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-bromo-2,6-dichlorophenyl)carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)N(CC)CC1=CC=CC=C1

DOS

IR

Vibrations