Geometry & MOs

Info

ID:	83547
PubChem CID:	49857808
Reduced:	N2O3C22H34 (1)
Stoich.:	A2B3C22D34 (1)
Weight, g/mol:	422.256943
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	5.4
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3C[C@H](O[C@H](C3)C)C

DOS

IR

Vibrations