Geometry & MOs

Info

ID:	241137
PubChem CID:	96021468
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	243.1987
ΔH_f, kcal/mol:	53.0
Dipole, Da:	5.99
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(cyclohexylmethyl)-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)[C@@H]2C3=C(CCN2)C=C(C=C3)C

DOS

IR

Vibrations