Geometry & MOs

Info

ID:	354877
PubChem CID:	127287637
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	5.88
IP(EA), eV:	-9.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylamino]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C(C)(C)NCC(=O)N(C2CCCC2)C3CC3

DOS

IR

Vibrations