Geometry & MOs

Info

ID:	189091
PubChem CID:	77816633
Reduced:	N3O5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	455.245188
ΔH_f, kcal/mol:	-118.95
Dipole, Da:	2.1
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[methyl(propan-2-yl)amino]propan-1-one

Drug info:

PubChemData

Smile

C1CC(=CC=C1)COCCN2C3=CC=CC=C3N(CC(C2=O)N)C(=O)OCCOCC4=CC=CC=C4

DOS

IR

Vibrations