Geometry & MOs

Info

ID:	210641
PubChem CID:	80833028
Reduced:	NC3H3 (5)
Stoich.:	AB3C3 (5)
Weight, g/mol:	251.117095
ΔH_f, kcal/mol:	79.39
Dipole, Da:	4.03
IP(EA), eV:	-8.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-N-quinolin-6-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NC2=CC3=C(C=C2)N=CC=C3)N

DOS

IR

Vibrations