Geometry & MOs

Info

ID:	19198
PubChem CID:	557662
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	7.47
IP(EA), eV:	-9.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-hydroxycyclohexyl)amino]-3-(1H-pyrazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(CC(=O)O)C2=CC=NN2)O

DOS

IR

Vibrations