Geometry & MOs

Info

ID:	213718
PubChem CID:	81064770
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-198.89
Dipole, Da:	3.28
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations