Geometry & MOs

Info

ID:	31513
PubChem CID:	855810
Reduced:	ClOSN2H11C17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	342.148061
ΔH_f, kcal/mol:	62.93
Dipole, Da:	5.03
IP(EA), eV:	-8.85(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(O3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations