Geometry & MOs

Info

ID:	248677
PubChem CID:	103083529
Reduced:	BrON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	304.02113
ΔH_f, kcal/mol:	2.86
Dipole, Da:	2.17
IP(EA), eV:	-9.89(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=CC(=O)N2

DOS

IR

Vibrations