Geometry & MOs

Info

ID:	261413
PubChem CID:	103231964
Reduced:	FO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	277.061804
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	4.22
IP(EA), eV:	-9.85(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-2-methylanilino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNCC2=NC=NC=C2C(=O)O)F

DOS

IR

Vibrations