Geometry & MOs

Info

ID:	212691
PubChem CID:	81061531
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-59.38
Dipole, Da:	4.19
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=NC=C(C=C1)C#CCCO

DOS

IR

Vibrations