Geometry & MOs

Info

ID:	185613
PubChem CID:	77320713
Reduced:	Cl2N2O2C29H36 (1)
Stoich.:	A2B2C2D29E36 (1)
Weight, g/mol:	578.346821
ΔH_f, kcal/mol:	-87.9
Dipole, Da:	5.63
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1-benzylpiperidin-2-yl)piperazin-1-yl]piperidin-4-yl]oxy-5-(4-methoxyphenyl)-3-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(CCC1=CC2(CCNCC2)C3=CC=CC=C31)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations