Geometry & MOs

Info

ID:	242045
PubChem CID:	96025221
Reduced:	NF2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	1.99
IP(EA), eV:	-8.97(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations