Geometry & MOs

Info

ID:	193165
PubChem CID:	78351535
Reduced:	NO3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	292.111973
ΔH_f, kcal/mol:	-173.86
Dipole, Da:	7.94
IP(EA), eV:	-10.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCN1C2CCCCC2C(=O)OC1=O

DOS

IR

Vibrations