Geometry & MOs

Info

ID:	179093
PubChem CID:	76432843
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	533.234828
ΔH_f, kcal/mol:	-32.6
Dipole, Da:	4.39
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2,3-dihydro-1H-inden-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-3-N-(thiophen-2-ylmethyl)piperidine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CN1CCCC1CCNC(=O)C2CC(CN(C2)CC3=CC=NC=C3)COC4=CN=CC=C4

DOS

IR

Vibrations