Geometry & MOs

Info

ID:	40808
PubChem CID:	8144735
Reduced:	OSN5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	404.93848
ΔH_f, kcal/mol:	47.68
Dipole, Da:	2.45
IP(EA), eV:	-8.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

COCCN1C(=NN(C1=S)CN2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations