Geometry & MOs

Info

ID:	271884
PubChem CID:	103695599
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-117.89
Dipole, Da:	1.59
IP(EA), eV:	-8.94(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2CCCC2CNC(=O)OC(C)(C)C

DOS

IR

Vibrations