Geometry & MOs

Info

ID:	213719
PubChem CID:	81064774
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-120.97
Dipole, Da:	3.37
IP(EA), eV:	-9.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)/C=C/C1=CC=CC=C1C

DOS

IR

Vibrations