Geometry & MOs

Info

ID:	445282
PubChem CID:	135265797
Reduced:	BrNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	229.09636
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	3.57
IP(EA), eV:	-9.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methyl-6-oxo-1H-pyridin-3-yl)pyrimidine-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)OCC2(CC2)C(=O)C3CCC3

DOS

IR

Vibrations