Geometry & MOs

Info

ID:	23870
PubChem CID:	606960
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	1.66
IP(EA), eV:	-8.64(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,4a,5,5a,6,7,8,9,9a,10-dodecahydrooxazino[2,3-b]isoquinoline

Drug info:

PubChemData

Smile

C1CCC2CN3C(CCCO3)CC2C1

DOS

IR

Vibrations