Geometry & MOs

Info

ID:	31522
PubChem CID:	855820
Reduced:	N5C9H11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	321.073597
ΔH_f, kcal/mol:	102.1
Dipole, Da:	3.92
IP(EA), eV:	-8.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NNN=N2

DOS

IR

Vibrations