Geometry & MOs

Info

ID:	59422
PubChem CID:	24859372
Reduced:	O4N5H29C30 (1)
Stoich.:	A4B5C29D30 (1)
Weight, g/mol:	293.132826
ΔH_f, kcal/mol:	-1.64
Dipole, Da:	9.24
IP(EA), eV:	-8.46(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-N'-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(2-fluorophenyl)ethanimidamide

Drug info:

PubChemData

Smile

C1CC(CCC1CC(=O)O)C2=CC3=N/C(=C/4\NN=C(O4)NC5=CC(=CC=C5)OCC6=CC=CC=C6)/N=C3C=C2

DOS

IR

Vibrations