Geometry & MOs

Info

ID:	261892
PubChem CID:	103257235
Reduced:	ClNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	4.07
IP(EA), eV:	-9.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6-ethoxypyridin-3-yl)amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NCC2=CC=C(C=C2)CC(=O)O

DOS

IR

Vibrations