Geometry & MOs

Info

ID:	29165
PubChem CID:	832089
Reduced:	O4N5C10H11 (1)
Stoich.:	A4B5C10D11 (1)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	11.27
Dipole, Da:	6.75
IP(EA), eV:	-9.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C(=O)NC2=NOC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations