Geometry & MOs

Info

ID:	235576
PubChem CID:	92710074
Reduced:	ClS2N3O4C16H20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	251.2613
ΔH_f, kcal/mol:	-139.29
Dipole, Da:	6.41
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(N(N=C2C)[C@@H]3CCS(=O)(=O)C3)C)Cl

DOS

IR

Vibrations