Geometry & MOs

Info

ID:	388190
PubChem CID:	134988492
Reduced:	NSeO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-44.46
Dipole, Da:	7.01
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-oxido-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]quinazolin-5-ium-6-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=N)[Se]CC(=O)O

DOS

IR

Vibrations