Geometry & MOs

Info

ID:	22232
PubChem CID:	596350
Reduced:	N5C18H19 (1)
Stoich.:	A5B18C19 (1)
Weight, g/mol:	305.164046
ΔH_f, kcal/mol:	77.95
Dipole, Da:	3.19
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-naphthalen-2-ylethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1C2=C(CN1CCC3=CC4=CC=CC=C4C=C3)N=C(N=C2N)N

DOS

IR

Vibrations