Geometry & MOs

Info

ID:	213341
PubChem CID:	81063488
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	339.04701
ΔH_f, kcal/mol:	-220.18
Dipole, Da:	4.57
IP(EA), eV:	-10.48(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=O)NC(=O)N1

DOS

IR

Vibrations