Geometry & MOs

Info

ID:	22965
PubChem CID:	600187
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	3.35
IP(EA), eV:	-8.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-5-phenyl-1-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(=O)N(C1=O)CCCCN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations