Geometry & MOs

Info

ID:	242050
PubChem CID:	96025236
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	12.28
Dipole, Da:	1.72
IP(EA), eV:	-8.89(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(4-methoxy-3-methylphenyl)methyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)[C@@H]2C3=C(CCN2)C=CC(=C3C)C

DOS

IR

Vibrations