Geometry & MOs

Info

ID:	397616
PubChem CID:	135030473
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	2.67
IP(EA), eV:	-9.81(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methylphenyl)-6-propan-2-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CN=C1C(C)C)C2=CC=CC=C2

DOS

IR

Vibrations