Geometry & MOs

Info

ID:	198959
PubChem CID:	79178439
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	90.41
Dipole, Da:	3.9
IP(EA), eV:	-8.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NCC2=CN=C(N2C3=CC=CC=C3)C

DOS

IR

Vibrations