Geometry & MOs

Info

ID:	416480
PubChem CID:	135089495
Reduced:	O2N7C17H25 (1)
Stoich.:	A2B7C17D25 (1)
Weight, g/mol:	346.156039
ΔH_f, kcal/mol:	6.95
Dipole, Da:	8.45
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,5R)-6-[(4-chloro-1-methylindazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)C4=NNN=C4C

DOS

IR

Vibrations