Geometry & MOs

Info

ID:	271885
PubChem CID:	103695952
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-177.66
Dipole, Da:	4.07
IP(EA), eV:	-9.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylcyclohexyl)-2-[phenylmethoxycarbonyl(propyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1)C(C(=O)O)N(C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations