Geometry & MOs

Info

ID:	142110
PubChem CID:	52983725
Reduced:	O3H14C15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	2.62
IP(EA), eV:	-8.64(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(azepan-1-yl)propanoylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations