Geometry & MOs

Info

ID:	82480
PubChem CID:	49856084
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	443.278407
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	5.89
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations