Geometry & MOs

Info

ID:	82333
PubChem CID:	49855901
Reduced:	O3N4C23H36 (1)
Stoich.:	A3B4C23D36 (1)
Weight, g/mol:	441.244999
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	2.78
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethyl]piperazin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations