Geometry & MOs

Info

ID:	252690
PubChem CID:	103113252
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	2.74
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=CC(=C(S1)C#CCO)C

DOS

IR

Vibrations