Geometry & MOs

Info

ID:	287910
PubChem CID:	104298470
Reduced:	N2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	8.49
Dipole, Da:	5.43
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyprop-1-ynyl)-3-methyl-N-(4-methylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CON=C2)C#CCO

DOS

IR

Vibrations