Geometry & MOs

Info

ID:	187915
PubChem CID:	77642755
Reduced:	O2F4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-275.93
Dipole, Da:	1.9
IP(EA), eV:	-9.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-amino-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)furan-2-yl] N-[(3-chlorophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC=C1CC(CC2=C1C(=C(C=C2)F)O)(C(F)(F)F)O

DOS

IR

Vibrations