Geometry & MOs

Info

ID:	323780
PubChem CID:	126676163
Reduced:	NOC20H21 (1)
Stoich.:	ABC20D21 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	14.27
Dipole, Da:	4.17
IP(EA), eV:	-9.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-formyl-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-methylidenepyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCC2=CC=C(C=C2)C3=CC=C(C=C3)CC#N

DOS

IR

Vibrations