Geometry & MOs

Info

ID:	182527
PubChem CID:	76901135
Reduced:	ON8C18H18 (1)
Stoich.:	AB8C18D18 (1)
Weight, g/mol:	347.149458
ΔH_f, kcal/mol:	105.67
Dipole, Da:	3.81
IP(EA), eV:	-8.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N3C2=NC(=N3)CN4CCC5=NC=CN=C5C4)N

DOS

IR

Vibrations