Geometry & MOs

Info

ID:	241929
PubChem CID:	96024670
Reduced:	NSC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	261.155121
ΔH_f, kcal/mol:	11.09
Dipole, Da:	2.3
IP(EA), eV:	-8.71(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CC3(CC3)CS)C=C1)C

DOS

IR

Vibrations