Geometry & MOs

Info

ID:	31520
PubChem CID:	855818
Reduced:	FSN4H11C17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	316.112425
ΔH_f, kcal/mol:	99.93
Dipole, Da:	5.34
IP(EA), eV:	-9.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-phenyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

DOS

IR

Vibrations