Geometry & MOs

Info

ID:	160508
PubChem CID:	57309856
Reduced:	ClNOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	473.169919
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	7.68
IP(EA), eV:	-9.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-1-[[3-carboxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxopyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN2C(=C(C=C2C3=CN=CC=C3)C(=O)O)CC1(Cl)Cl

DOS

IR

Vibrations