Geometry & MOs

Info

ID:	447715
PubChem CID:	135285026
Reduced:	O4N9C26H29 (1)
Stoich.:	A4B9C26D29 (1)
Weight, g/mol:	464.228437
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	4.21
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-4-oxo-4-[8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butanamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)COC4=CC=CC5=C4CN(CC5)C(=O)C(CC6=CN=CN6)NC(=O)O

DOS

IR

Vibrations