Geometry & MOs

Info

ID:	247679
PubChem CID:	103072648
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	-10.43
Dipole, Da:	4.0
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C(=NC=C(C1=O)Br)C

DOS

IR

Vibrations