Geometry & MOs

Info

ID:	439369
PubChem CID:	135229142
Reduced:	N8O11C35H48 (1)
Stoich.:	A8B11C35D48 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-310.29
Dipole, Da:	8.91
IP(EA), eV:	-9.16(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)propanal

Drug info:

PubChemData

Smile

C#CCOCCOCCOCCOCCOCCOCCNCC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

DOS

IR

Vibrations