Geometry & MOs

Info

ID:	242042
PubChem CID:	96025205
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	291.123484
ΔH_f, kcal/mol:	5.42
Dipole, Da:	1.68
IP(EA), eV:	-8.72(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(2,3,6-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C[C@H]2C3=C(CCN2)C=CC(=C3C)C

DOS

IR

Vibrations