Geometry & MOs

Info

ID:	130129
PubChem CID:	51075004
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	299.107005
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	3.6
IP(EA), eV:	-9.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations