Geometry & MOs

Info

ID:	43314
PubChem CID:	10321110
Reduced:	OCl2N3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	396.155941
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	1.91
IP(EA), eV:	-8.65(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,2-N-bis[2-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)CN3C4=C(CCNCC4)C5=CC(=C(C=C53)Cl)Cl

DOS

IR

Vibrations