Geometry & MOs

Info

ID:

83374

PubChem CID:

49857509

Reduced:

O3Si3C44H84 (1)

Stoich.:

A3B3C44D84 (1)

Weight, g/mol:

347.138225

ΔHf, kcal/mol:

-379.98

Dipole, Da:

2.16

IP(EA), eV:

 -8.34(0.62)

Spin(Sz, 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]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations