Geometry & MOs

Info

ID:	213181
PubChem CID:	81063127
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-120.04
Dipole, Da:	3.74
IP(EA), eV:	-9.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-phenylcyclopentanecarbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations