Geometry & MOs

Info

ID:	431004
PubChem CID:	135171074
Reduced:	SN8C23H30 (1)
Stoich.:	AB8C23D30 (1)
Weight, g/mol:	378.231871
ΔH_f, kcal/mol:	102.36
Dipole, Da:	7.57
IP(EA), eV:	-7.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(ethylamino)oxan-3-yl]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/CN=C5C(=C4N)C(=CS5)N6CCNCC6)/N3

DOS

IR

Vibrations