Geometry & MOs

Info

ID:	82158
PubChem CID:	49855701
Reduced:	N4O4C25H38 (1)
Stoich.:	A4B4C25D38 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-147.76
Dipole, Da:	3.8
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations