Geometry & MOs

Info

ID:	241922
PubChem CID:	96024631
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	256.137577
ΔH_f, kcal/mol:	40.42
Dipole, Da:	3.18
IP(EA), eV:	-8.68(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CN(C=N3)C)C=C1)C

DOS

IR

Vibrations