Geometry & MOs

Info

ID:	241714
PubChem CID:	96024064
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	6.08
Dipole, Da:	1.62
IP(EA), eV:	-8.66(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=C(C=C(C=C3C)C)C)C=C1)C

DOS

IR

Vibrations