Geometry & MOs

Info

ID:	272888
PubChem CID:	103763781
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	280.096026
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	9.14
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)C2=CC(=O)NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations