Geometry & MOs

Info

ID:	149773
PubChem CID:	53789449
Reduced:	BrO4C5H9 (1)
Stoich.:	AB4C5D9 (1)
Weight, g/mol:	364.154028
ΔH_f, kcal/mol:	-180.78
Dipole, Da:	2.9
IP(EA), eV:	-10.67(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[5-chloro-4-(diazonioamino)-2-hydroxybenzoyl]amino]-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

Drug info:

PubChemData

Smile

C(CBr)OC(=O)C(CO)O

DOS

IR

Vibrations