Geometry & MOs

Info

ID:	312696
PubChem CID:	126607445
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	506.275387
ΔH_f, kcal/mol:	3.47
Dipole, Da:	3.04
IP(EA), eV:	-8.88(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2,5-dihydro-1H-triazol-4-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CC2=CNC(=NC21)NC3CC4=CC=CC=C4C3)C(=O)CCN

DOS

IR

Vibrations