Geometry & MOs

Info

ID:	241931
PubChem CID:	96024675
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	256.137577
ΔH_f, kcal/mol:	16.3
Dipole, Da:	1.79
IP(EA), eV:	-8.7(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-fluoropyridin-4-yl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2/C=C/CN(C)C)C=C1)C

DOS

IR

Vibrations