Geometry & MOs

Info

ID:	209979
PubChem CID:	80746515
Reduced:	S2N3O4C11H17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	284.104003
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	7.73
IP(EA), eV:	-9.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-5-chloro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CCNC1=C(C=C(S1)S(=O)(=O)NC2CC2(C)C)[N+](=O)[O-]

DOS

IR

Vibrations