Geometry & MOs

Info

ID:	241245
PubChem CID:	96022210
Reduced:	FNC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	285.107754
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	2.79
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations