Geometry & MOs

Info

ID:	287913
PubChem CID:	104298563
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-61.43
Dipole, Da:	3.29
IP(EA), eV:	-9.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyprop-1-ynyl)-3-methyl-N-(2-methylpyridin-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C(C)C)C#CCO

DOS

IR

Vibrations