Geometry & MOs

Info

ID:	28487
PubChem CID:	827923
Reduced:	N2O2H14C21 (1)
Stoich.:	A2B2C14D21 (1)
Weight, g/mol:	301.204179
ΔH_f, kcal/mol:	66.72
Dipole, Da:	6.62
IP(EA), eV:	-9.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-4-tert-butylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N

DOS

IR

Vibrations