Geometry & MOs

Info

ID:	156997
PubChem CID:	56404823
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	483.255563
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	3.78
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations