Geometry & MOs

Info

ID:	396885
PubChem CID:	135029388
Reduced:	O2N5H17C20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	371.163377
ΔH_f, kcal/mol:	59.07
Dipole, Da:	5.95
IP(EA), eV:	-9.49(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-(2-methylindol-1-yl)-6-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C

DOS

IR

Vibrations