Geometry & MOs

Info

ID:	31517
PubChem CID:	855815
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	113.36
Dipole, Da:	4.65
IP(EA), eV:	-8.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations