Geometry & MOs

Info

ID:	241120
PubChem CID:	96021280
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	255.142328
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	1.27
IP(EA), eV:	-8.54(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(4-fluorophenyl)methyl]-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC[C@@H]2C3=C(C=CC=C3CCN2)C)C

DOS

IR

Vibrations