Geometry & MOs

Info

ID:	241155
PubChem CID:	96021561
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	3.74
Dipole, Da:	1.53
IP(EA), eV:	-8.58(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)CC3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations