Geometry & MOs

Info

ID:	157004
PubChem CID:	56404914
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	478.240248
ΔH_f, kcal/mol:	-81.2
Dipole, Da:	7.74
IP(EA), eV:	-8.01(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations