Geometry & MOs

Info

ID:	276766
PubChem CID:	103825103
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-95.27
Dipole, Da:	1.89
IP(EA), eV:	-9.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(ON=C1)C(=O)NCC(C)(C)CCO

DOS

IR

Vibrations