Geometry & MOs

Info

ID:	26497
PubChem CID:	650437
Reduced:	SN2O7H22C24 (1)
Stoich.:	AB2C7D22E24 (1)
Weight, g/mol:	466.211724
ΔH_f, kcal/mol:	-184.02
Dipole, Da:	8.06
IP(EA), eV:	-8.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

DOS

IR

Vibrations