Geometry & MOs

Info

ID:	57785
PubChem CID:	24277353
Reduced:	ClNOH4C6 (2)
Stoich.:	ABCD4E6 (2)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	2.93
IP(EA), eV:	-9.82(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations