Geometry & MOs

Info

ID:	153175
PubChem CID:	56312327
Reduced:	SO3N5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	445.257671
ΔH_f, kcal/mol:	-36.19
Dipole, Da:	2.61
IP(EA), eV:	-8.68(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]propanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations