Geometry & MOs

Info

ID:	241637
PubChem CID:	96023888
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	265.18305
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	2.04
IP(EA), eV:	-8.67(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,4-dimethylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations