Geometry & MOs

Info

ID:	31494
PubChem CID:	855787
Reduced:	FOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	338.039295
ΔH_f, kcal/mol:	7.82
Dipole, Da:	2.59
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-pyridin-3-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)SCC3=CC=CC=C3F

DOS

IR

Vibrations