Geometry & MOs

Info

ID:	336221
PubChem CID:	127255228
Reduced:	N3O5H21C25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-110.86
Dipole, Da:	3.75
IP(EA), eV:	-8.83(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations