Geometry & MOs

Info

ID:	27251
PubChem CID:	819907
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	248.035255
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	7.95
IP(EA), eV:	-8.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-2-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)/C=C\1/C(=O)OC(=N1)C2=CC=CC=C2Cl

DOS

IR

Vibrations