Geometry & MOs

Info

ID:	390630
PubChem CID:	135000067
Reduced:	BCl2C5H7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	1.65
IP(EA), eV:	-9.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]butan-2-ol

Drug info:

PubChemData

Smile

B(CC1=CCC1)(Cl)Cl

DOS

IR

Vibrations