Geometry & MOs

Info

ID:	83375
PubChem CID:	49857513
Reduced:	O2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	462.237939
ΔH_f, kcal/mol:	34.69
Dipole, Da:	9.87
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5S)-6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[2-(2-methylpropoxy)ethoxy]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NC3=NC=CC4=CC=CC=C43)CN1C5=NC=C(C=N5)C(=O)O

DOS

IR

Vibrations