Geometry & MOs

Info

ID:	157035
PubChem CID:	56413042
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	418.238706
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	4.92
IP(EA), eV:	-9.03(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)cyclopentyl]-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

DOS

IR

Vibrations