Geometry & MOs

Info

ID:	438595
PubChem CID:	135228339
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	361.086101
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	3.61
IP(EA), eV:	-9.43(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-6-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-6-azatricyclo[3.3.0.01,4]octan-2-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC2(C1=O)CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations