Geometry & MOs

Info

ID:	339091
PubChem CID:	127260348
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	-14.41
Dipole, Da:	2.67
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-1,5-dihydropyrazol-3-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC(N(N1Cl)C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations