Geometry & MOs

Info

ID:	70823
PubChem CID:	48413916
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	315.077454
ΔH_f, kcal/mol:	-80.4
Dipole, Da:	4.89
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations