Geometry & MOs

Info

ID:	261900
PubChem CID:	103258013
Reduced:	SO2N4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-10.94
Dipole, Da:	2.96
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations