Geometry & MOs

Info

ID:	350329
PubChem CID:	127277407
Reduced:	NO3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-173.71
Dipole, Da:	2.22
IP(EA), eV:	-9.73(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyl-2-hydroxyethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)C2CC3CCCC(C2)C3=O)O

DOS

IR

Vibrations