Geometry & MOs

Info

ID:	176066
PubChem CID:	75991562
Reduced:	N4O7C23H28 (1)
Stoich.:	A4B7C23D28 (1)
Weight, g/mol:	474.09027
ΔH_f, kcal/mol:	-265.55
Dipole, Da:	5.02
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-acetyl-5-(4-bromophenyl)pyrazolidin-3-ylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)N1)C4=CC(=C(C(=C4)OC)O)OC

DOS

IR

Vibrations