Geometry & MOs

Info

ID:	261937
PubChem CID:	103260070
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	4.09
IP(EA), eV:	-9.44(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CO1)NC2CCC2C(=O)O

DOS

IR

Vibrations