Geometry & MOs

Info

ID:	241220
PubChem CID:	96022033
Reduced:	F2N2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	291.081933
ΔH_f, kcal/mol:	-49.1
Dipole, Da:	4.07
IP(EA), eV:	-9.34(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(5-nitropyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations