Geometry & MOs

Info

ID:	165630
PubChem CID:	74578402
Reduced:	N4O4C21H29 (1)
Stoich.:	A4B4C21D29 (1)
Weight, g/mol:	373.205322
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754931
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5a,9-trimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-8-yl)-3-fluorobenzamide

Drug info:

PubChemData

Smile

C[NH+](CCC1=CC=CC=N1)C2C(OC(C2O)CO)CNC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations