Geometry & MOs

Info

ID:	349270
PubChem CID:	127275057
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	381.186398
ΔH_f, kcal/mol:	3.89
Dipole, Da:	3.27
IP(EA), eV:	-8.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-methylamino]-N-(3,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations