Geometry & MOs

Info

ID:	211490
PubChem CID:	81044085
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	4.11
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N(C)CCOC(C)C)C#CCCO

DOS

IR

Vibrations