Geometry & MOs

Info

ID:	69632
PubChem CID:	47205059
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	269.012267
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	3.46
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC(=O)NCC2=CC=NN2)Cl

DOS

IR

Vibrations