Geometry & MOs

Info

ID:	255535
PubChem CID:	103132777
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	175.074562
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	4.51
IP(EA), eV:	-8.42(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(2-methyl-1H-pyrazol-5-ylidene)pyridin-3-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC2CCC(O2)C)CN

DOS

IR

Vibrations