Geometry & MOs

Info

ID:	352615
PubChem CID:	127283704
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-135.45
Dipole, Da:	1.04
IP(EA), eV:	-9.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCC3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations