Geometry & MOs

Info

ID:	295258
PubChem CID:	117523602
Reduced:	O2N4H10C13 (1)
Stoich.:	A2B4C10D13 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	19.26
Dipole, Da:	6.32
IP(EA), eV:	-9.55(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(phenoxymethyl)pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN2C(=C(N=C2C3=CC=NC=C3)C(=O)O)C=C1

DOS

IR

Vibrations