Geometry & MOs

Info

ID:	298999
PubChem CID:	117666033
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	161.047678
ΔH_f, kcal/mol:	6.9
Dipole, Da:	2.39
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-1-prop-2-ynylpyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(C=CC=C2/C(=N/O)/N)C3=CC=C(C=C3)O

DOS

IR

Vibrations