Geometry & MOs

Info

ID:	242061
PubChem CID:	96025293
Reduced:	FNC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-25.21
Dipole, Da:	2.74
IP(EA), eV:	-8.8(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(5-methoxy-2-methylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CCC3=CC=CC=C3F)C=C1)C

DOS

IR

Vibrations