Geometry & MOs

Info

ID:	35568
PubChem CID:	7980044
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	0.99
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R)-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations