Geometry & MOs

Info

ID:	213806
PubChem CID:	81065052
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-172.31
Dipole, Da:	2.98
IP(EA), eV:	-9.57(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=C(C=C1)Br)O

DOS

IR

Vibrations