Geometry & MOs

Info

ID:	188398
PubChem CID:	77710765
Reduced:	N3O4C18H29 (1)
Stoich.:	A3B4C18D29 (1)
Weight, g/mol:	458.183316
ΔH_f, kcal/mol:	-179.33
Dipole, Da:	6.49
IP(EA), eV:	-10.05(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[7-but-2-ynyl-3-chloro-2-(2-phenylethyl)-3,4-dihydroimidazo[4,5-e][1,2,4]oxadiazin-6-yl]piperidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCC(C(C(=O)NCC1=CN=CC=C1)O)(C(C)(C)C)NC(=O)O

DOS

IR

Vibrations