Geometry & MOs

Info

ID:	203323
PubChem CID:	79812723
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	240.220164
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	3.46
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-ethyl-N-(3-ethylcyclohexyl)butanamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NCC(=O)NC1=C(C=C(C=C1)C)Cl

DOS

IR

Vibrations