Geometry & MOs

Info

ID:	184167
PubChem CID:	77123267
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	315.09462
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	5.46
IP(EA), eV:	-9.58(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-(diethylamino)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NC(=O)C(C(=N2)C(C)C)Br

DOS

IR

Vibrations