Geometry & MOs

Info

ID:	381002
PubChem CID:	134971625
Reduced:	ON5H19C26 (1)
Stoich.:	AB5C19D26 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	150.19
Dipole, Da:	7.65
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-2-hydroxy-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C(=N1)N2CC3=CC=CC=C3C2)C=C(C#N)C#N)C4=CC=CC=C4)C#N

DOS

IR

Vibrations