Geometry & MOs

Info

ID:	31514
PubChem CID:	855811
Reduced:	ON4H18C21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	334.088832
ΔH_f, kcal/mol:	112.72
Dipole, Da:	3.28
IP(EA), eV:	-8.23(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations