Geometry & MOs

Info

ID:	350932
PubChem CID:	127279220
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-71.81
Dipole, Da:	1.72
IP(EA), eV:	-8.53(2.31)
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-(2,2-dimethylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1(CCCN1CC2CCCO2)C

DOS

IR

Vibrations