Geometry & MOs

Info

ID:	262202
PubChem CID:	103276854
Reduced:	ClSN3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	249.155121
ΔH_f, kcal/mol:	56.95
Dipole, Da:	4.19
IP(EA), eV:	-8.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CNC2=C(C=CC3=NSN=C32)Cl

DOS

IR

Vibrations