Geometry & MOs

Info

ID:	427128
PubChem CID:	135155596
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	543.240103
ΔH_f, kcal/mol:	-169.79
Dipole, Da:	2.59
IP(EA), eV:	-7.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-5-(2-methylpropyl)-5-phenylimidazol-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3OC=O)C(=N2)N[C@@H]4CCOC4)OCCCN5CCCC5

DOS

IR

Vibrations