Geometry & MOs

Info

ID:	69641
PubChem CID:	47205069
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	251.046154
ΔH_f, kcal/mol:	12.13
Dipole, Da:	5.81
IP(EA), eV:	-9.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-hydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations