Geometry & MOs

Info

ID:	31717
PubChem CID:	866068
Reduced:	SN4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	299.117095
ΔH_f, kcal/mol:	88.32
Dipole, Da:	4.09
IP(EA), eV:	-8.56(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=NC(=NN3)SCC4CCCCC4)N=C2C=C1

DOS

IR

Vibrations