Geometry & MOs

Info

ID:	156968
PubChem CID:	56404136
Reduced:	BrN2O2C21H31 (1)
Stoich.:	AB2C2D21E31 (1)
Weight, g/mol:	481.189897
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	5.0
IP(EA), eV:	-8.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CCC3=CC=CC=C3Br

DOS

IR

Vibrations