Geometry & MOs

Info

ID:	27727
PubChem CID:	823292
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	297.043567
ΔH_f, kcal/mol:	-85.16
Dipole, Da:	2.67
IP(EA), eV:	-8.5(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4,5-dichloro-1-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2(CCCC2)CNC(=O)CC#N)OC

DOS

IR

Vibrations