Geometry & MOs

Info

ID:	447714
PubChem CID:	135285020
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	531.23425
ΔH_f, kcal/mol:	-7.98
Dipole, Da:	3.57
IP(EA), eV:	-8.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-imidazol-5-yl)-1-oxo-1-[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C1CCCCC1)NC(=O)NC2=NC=C3C(=C2)NN=C3N

DOS

IR

Vibrations