Geometry & MOs

Info

ID:	182528
PubChem CID:	76901136
Reduced:	ON7H17C18 (1)
Stoich.:	AB7C17D18 (1)
Weight, g/mol:	381.110486
ΔH_f, kcal/mol:	105.72
Dipole, Da:	1.2
IP(EA), eV:	-8.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N3C2=NC(=N3)CN4CC5=C(C4)N=CC=C5)N

DOS

IR

Vibrations