Geometry & MOs

Info

ID:	82332
PubChem CID:	49855900
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	416.278741
ΔH_f, kcal/mol:	-110.62
Dipole, Da:	5.8
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)CN3CCOCC3

DOS

IR

Vibrations