Geometry & MOs

Info

ID:	132246
PubChem CID:	51329351
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	393.135842
ΔH_f, kcal/mol:	-130.36
Dipole, Da:	2.41
IP(EA), eV:	-9.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-methylsulfanyl-2-nitrobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCOCC3)C

DOS

IR

Vibrations