Geometry & MOs

Info

ID:	31610
PubChem CID:	855932
Reduced:	SN4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	332.082874
ΔH_f, kcal/mol:	155.15
Dipole, Da:	2.76
IP(EA), eV:	-8.27(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=NC=C4

DOS

IR

Vibrations