Geometry & MOs

Info

ID:	55591
PubChem CID:	17395608
Reduced:	FN2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-45.81
Dipole, Da:	2.67
IP(EA), eV:	-9.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-cyclopentyl-3-pyridin-3-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3F

DOS

IR

Vibrations