Geometry & MOs

Info

ID:	280751
PubChem CID:	103851093
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	285.139865
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	4.84
IP(EA), eV:	-9.93(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-4-propylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC=C(C=C1)C2=NNN=N2

DOS

IR

Vibrations