Geometry & MOs

Info

ID:	395265
PubChem CID:	135025042
Reduced:	NO6C21H27 (1)
Stoich.:	AB6C21D27 (1)
Weight, g/mol:	288.126263
ΔH_f, kcal/mol:	-225.31
Dipole, Da:	4.86
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-2,4-diphenylbutyl)propanedinitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1[C@@H]2CCC=C[C@@]2(OC1=O)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations