Geometry & MOs

Info

ID:	276755
PubChem CID:	103824964
Reduced:	NO2C17H33 (1)
Stoich.:	AB2C17D33 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-156.88
Dipole, Da:	4.65
IP(EA), eV:	-9.59(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-3-(methylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C(=O)NCC(C)(C)CCO

DOS

IR

Vibrations