Geometry & MOs

Info

ID:	224441
PubChem CID:	85342896
Reduced:	N3C31H43 (1)
Stoich.:	A3B31C43 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	31.64
Dipole, Da:	1.39
IP(EA), eV:	-8.19(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-(5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-ylidene)-4-nitrocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)N2CCC3(CC2)C4CN(CC4CN3C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations