Geometry & MOs

Info

ID:	40379
PubChem CID:	8144018
Reduced:	BrO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	413.201122
ΔH_f, kcal/mol:	-6.46
Dipole, Da:	5.18
IP(EA), eV:	-9.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl]-methyl-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=N\NC(=O)CCCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations