Geometry & MOs

Info

ID:	335845
PubChem CID:	127254707
Reduced:	NO2C25H29 (1)
Stoich.:	AB2C25D29 (1)
Weight, g/mol:	410.091246
ΔH_f, kcal/mol:	-34.21
Dipole, Da:	2.16
IP(EA), eV:	-9.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations