Geometry & MOs

Info

ID:	158633
PubChem CID:	56464350
Reduced:	ON3C24H35 (1)
Stoich.:	AB3C24D35 (1)
Weight, g/mol:	436.229683
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	3.53
IP(EA), eV:	-8.56(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations