Geometry & MOs

Info

ID:	247675
PubChem CID:	103072638
Reduced:	BrON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	285.04767
ΔH_f, kcal/mol:	-14.42
Dipole, Da:	2.95
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CN1C=NC=C(C1=O)Br

DOS

IR

Vibrations