Geometry & MOs

Info

ID:	242052
PubChem CID:	96025257
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	1.75
IP(EA), eV:	-8.27(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CC3=CC(=C(C=C3)OC)C)C=C1)C

DOS

IR

Vibrations