Geometry & MOs

Info

ID:	241928
PubChem CID:	96024668
Reduced:	FNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	261.155121
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	0.9
IP(EA), eV:	-8.64(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H]2C3=C(CCN2)C=C(C(=C3)C)C)F

DOS

IR

Vibrations