Geometry & MOs

Info

ID:	200459
PubChem CID:	79391065
Reduced:	ClN2O4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-181.93
Dipole, Da:	6.61
IP(EA), eV:	-9.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-ethylcyclohexyl)methylamino]-2-methylbutanoate

Drug info:

PubChemData

Smile

CC(C(C)N1C=C(C(=O)NC1=O)Cl)C(=O)OC

DOS

IR

Vibrations