Geometry & MOs

Info

ID:	16725
PubChem CID:	476045
Reduced:	N3C11H15 (2)
Stoich.:	A3B11C15 (2)
Weight, g/mol:	378.253195
ΔH_f, kcal/mol:	49.03
Dipole, Da:	2.82
IP(EA), eV:	-8.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2,3-dibutylphenyl)-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CCCCC1=C(C(=CC=C1)N(C)C2=NC3=C(C=C2)N=C(N=C3N)N)CCCC

DOS

IR

Vibrations