Geometry & MOs

Info

ID:	242025
PubChem CID:	96025136
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	257.21435
ΔH_f, kcal/mol:	45.37
Dipole, Da:	5.81
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(cyclohexylmethyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations