Geometry & MOs

Info

ID:	439307
PubChem CID:	135229077
Reduced:	O4N7H31C32 (1)
Stoich.:	A4B7C31D32 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	-10.09
Dipole, Da:	7.45
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-2-oxopyridin-1-yl)propanal

Drug info:

PubChemData

Smile

CCCCC1=NN(C(=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=C5C(=NC=C4)NC(=O)N5C)C6=CC=C(C=C6)OC

DOS

IR

Vibrations