Geometry & MOs

Info

ID:	261969
PubChem CID:	103262851
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	4.69
IP(EA), eV:	-9.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NCC2=C(C=C(C=C2)C(=O)O)Br

DOS

IR

Vibrations