Geometry & MOs

Info

ID:	217196
PubChem CID:	85087407
Reduced:	NSiO4C17H31 (1)
Stoich.:	ABC4D17E31 (1)
Weight, g/mol:	349.146952
ΔH_f, kcal/mol:	-228.29
Dipole, Da:	3.84
IP(EA), eV:	-9.44(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-fluoro-N-(1H-imidazol-2-ylmethyl)-5-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine

Drug info:

PubChemData

Smile

CCC12CCCN(C1C2C(=O)OCC)C(=O)OCC[Si](C)(C)C

DOS

IR

Vibrations