Geometry & MOs

Info

ID:	261747
PubChem CID:	103249115
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-140.67
Dipole, Da:	7.41
IP(EA), eV:	-9.36(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC(CC)(CO)NCC1=CC=C(C=C1)C(C)C(=O)O

DOS

IR

Vibrations