Geometry & MOs

Info

ID:	294744
PubChem CID:	117487423
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	302.057053
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	4.13
IP(EA), eV:	-8.3(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-4-imidazol-1-ylphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2CCCCC2)C3(CCCCC3)CN

DOS

IR

Vibrations