Geometry & MOs

Info

ID:	209763
PubChem CID:	80717558
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	292.02113
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	2.76
IP(EA), eV:	-9.1(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(2,6-dimethylphenyl)methyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1CCC(C1)NC2CCOC2

DOS

IR

Vibrations