Geometry & MOs

Info

ID:	10807
PubChem CID:	108185
Reduced:	ClO2N6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	436.141452
ΔH_f, kcal/mol:	48.95
Dipole, Da:	5.98
IP(EA), eV:	-9.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl

DOS

IR

Vibrations