Geometry & MOs

Info

ID:	283030
PubChem CID:	103954150
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-166.34
Dipole, Da:	4.07
IP(EA), eV:	-9.11(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2(CCOCC2)CO)OC

DOS

IR

Vibrations