Geometry & MOs

Info

ID:	372941
PubChem CID:	131307254
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	279.99597
ΔH_f, kcal/mol:	-162.21
Dipole, Da:	3.14
IP(EA), eV:	-9.8(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-bromopyrimidin-2-yl)amino]methyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1(C(CN1C(=O)OC(C)(C)C)O)C

DOS

IR

Vibrations