Geometry & MOs

Info

ID:	235577
PubChem CID:	92710078
Reduced:	NC17H33 (1)
Stoich.:	AB17C33 (1)
Weight, g/mol:	251.2613
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	1.38
IP(EA), eV:	-8.47(3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-tert-butyl-N-(4-methylcyclohexyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(CC1)N[C@@H]2CCCC[C@H]2C(C)(C)C

DOS

IR

Vibrations