Geometry & MOs

Info

ID:	55498
PubChem CID:	17395469
Reduced:	ClNO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-184.47
Dipole, Da:	3.18
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)NCC(=O)OC)Cl)OC

DOS

IR

Vibrations