Geometry & MOs

Info

ID:	264484
PubChem CID:	103463882
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	3.26
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylbutyl)-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C1=C(C=C(C=C1)C)C#CCCO

DOS

IR

Vibrations