Geometry & MOs

Info

ID:	22758
PubChem CID:	598561
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	2.72
IP(EA), eV:	-9.8(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 6-methyl-2-phenylpyrimidine-4,5-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations