Geometry & MOs

Info

ID:	261821
PubChem CID:	103253096
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	8.49
IP(EA), eV:	-9.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(CO)NCC(=C)C(=O)O

DOS

IR

Vibrations