Geometry & MOs

Info

ID:	241698
PubChem CID:	96024036
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-16.05
Dipole, Da:	1.62
IP(EA), eV:	-8.46(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-methoxy-4-methylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations