Geometry & MOs

Info

ID:	241251
PubChem CID:	96022237
Reduced:	NOF2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	247.092104
ΔH_f, kcal/mol:	-68.79
Dipole, Da:	2.57
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)/C=C/C3=CC=CO3

DOS

IR

Vibrations