Geometry & MOs

Info

ID:	22924
PubChem CID:	599947
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	42.53
Dipole, Da:	4.09
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-oxidoquinazolin-3-ium

Drug info:

PubChemData

Smile

CCC1=[N+](C=NC2=CC=CC=C21)[O-]

DOS

IR

Vibrations