Geometry & MOs

Info

ID:	350913
PubChem CID:	127279201
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-147.83
Dipole, Da:	0.97
IP(EA), eV:	-8.69(-0.07)
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-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)C(=O)CN2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations