Geometry & MOs

Info

ID:	180145
PubChem CID:	76584783
Reduced:	ClON4C25H33 (1)
Stoich.:	ABC4D25E33 (1)
Weight, g/mol:	497.196045
ΔH_f, kcal/mol:	-13.14
Dipole, Da:	6.47
IP(EA), eV:	-8.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(1-acetylpiperidin-4-yl)morpholin-2-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCC2=CC=CC=C2)CN3CCN(CC3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations