Geometry & MOs

Info

ID:	404920
PubChem CID:	135071735
Reduced:	NO2C22H29 (2)
Stoich.:	AB2C22D29 (2)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	14.5
IP(EA), eV:	-8.28(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=C2C=C(C(=C4)C#N)C#N)OCCCCCC)OCCCCCC)OCCCCCC

DOS

IR

Vibrations