Geometry & MOs

Info

ID:	59853
PubChem CID:	24899860
Reduced:	NO6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	528.078967
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	5.58
IP(EA), eV:	-9.97(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

C[C@@]1(COC(O1)(C)C)COC2=C(C=CC(=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations