Geometry & MOs

Info

ID:	294655
PubChem CID:	117479121
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	297.149557
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	4.95
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)C2(CCCCC2)CN)S(=O)(=O)C

DOS

IR

Vibrations