Geometry & MOs

Info

ID:	126211
PubChem CID:	50955597
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	4.62
IP(EA), eV:	-8.91(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCN1CCC(=CC1)CN2C(=CC=N2)NC(=O)C

DOS

IR

Vibrations