Geometry & MOs

Info

ID:	427924
PubChem CID:	135165484
Reduced:	N5H23C25 (1)
Stoich.:	A5B23C25 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	171.44
Dipole, Da:	4.2
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-diethyl-5-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

C/C=C\C1=C(N=CC(=C1)C=C)C(=C)NC2=C(C(=CC=C2)N3C4=CC=CC=C4N=N3)C

DOS

IR

Vibrations