Geometry & MOs

Info

ID:	340992
PubChem CID:	127263427
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	243.98474
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	3.26
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromopyrimidin-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1(CC(N(O1)C)C2=CC=NC=C2)C(=O)OC

DOS

IR

Vibrations