Geometry & MOs

Info

ID:	83300
PubChem CID:	49857422
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	422.256943
ΔH_f, kcal/mol:	-115.47
Dipole, Da:	4.95
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN1CCCOC2=CC=C(C=C2)C(=O)C(C)N3CCOCC3

DOS

IR

Vibrations