Geometry & MOs

Info

ID:	32438
PubChem CID:	7835964
Reduced:	SN3O5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	237.155121
ΔH_f, kcal/mol:	-131.4
Dipole, Da:	3.12
IP(EA), eV:	-8.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S)-2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations