Geometry & MOs

Info

ID:	58615
PubChem CID:	24712296
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-124.66
Dipole, Da:	4.12
IP(EA), eV:	-9.17(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C)C(C)C

DOS

IR

Vibrations