Geometry & MOs

Info

ID:	58629
PubChem CID:	24712332
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	2.24
IP(EA), eV:	-9.21(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=NC=CN1CC2=CC=C(C=C2)F)C(=O)C3CC3

DOS

IR

Vibrations