Geometry & MOs

Info

ID:	441409
PubChem CID:	135234550
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-6.79
Dipole, Da:	4.44
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(2-methyl-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NC=NC3=C2C=CC=C3OC

DOS

IR

Vibrations