Geometry & MOs

Info

ID:	64525
PubChem CID:	29202765
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	367.169605
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	7.33
IP(EA), eV:	-9.17(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(3-methoxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC(=CC=C1)NC(=O)N

DOS

IR

Vibrations