Geometry & MOs

Info

ID:	197879
PubChem CID:	79009449
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-141.39
Dipole, Da:	5.94
IP(EA), eV:	-9.07(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)NC1=CC=CC=C1C(C)(C)C

DOS

IR

Vibrations