Geometry & MOs

Info

ID:	58616
PubChem CID:	24712302
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	2.34
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NCC3CCCO3

DOS

IR

Vibrations