Geometry & MOs

Info

ID:	148437
PubChem CID:	53788099
Reduced:	ON7C25H25 (1)
Stoich.:	AB7C25D25 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	89.83
Dipole, Da:	8.49
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxy-1-oxidopyridin-1-ium-2-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(C2=NC3=C(N2)C=C(C=C3)CN)C4=NC5=C(N4)C=C(C=C5)C(=N)N

DOS

IR

Vibrations