Geometry & MOs

Info

ID:	144996
PubChem CID:	53447081
Reduced:	ClO2N6C25H25 (1)
Stoich.:	AB2C6D25E25 (1)
Weight, g/mol:	566.02178
ΔH_f, kcal/mol:	78.7
Dipole, Da:	1.01
IP(EA), eV:	-8.38(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-tetrazol-1-ium-2-yl]-(2-hydroxyphenyl)methanone;iodide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N2NC(=C3C=CC=CC3=O)NN2C4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations