Geometry & MOs

Info

ID:	198326
PubChem CID:	79088152
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	3.31
IP(EA), eV:	-8.93(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-chlorophenyl)methanol

Drug info:

PubChemData

Smile

CC(C)CC(C1CN2CCCC2CO1)O

DOS

IR

Vibrations