Geometry & MOs

Info

ID:	165785
PubChem CID:	74598377
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	276.134816
ΔH_f, kcal/mol:	-96.75
Dipole, Da:	6.55
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-1-yl)-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCNC(=O)COC1=C(C=C(C=C1)C=CC)OC

DOS

IR

Vibrations