Geometry & MOs

Info

ID:	358775
PubChem CID:	127296641
Reduced:	BrO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	1.38
IP(EA), eV:	-9.48(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(4-methylidenepiperidine-1-carbonyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations