Geometry & MOs

Info

ID:	82481
PubChem CID:	49856085
Reduced:	N3O4C25H37 (1)
Stoich.:	A3B4C25D37 (1)
Weight, g/mol:	452.278741
ΔH_f, kcal/mol:	-155.34
Dipole, Da:	2.21
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations