Geometry & MOs

Info

ID:	378153
PubChem CID:	134224227
Reduced:	O11C18H26 (1)
Stoich.:	A11B18C26 (1)
Weight, g/mol:	379.194757
ΔH_f, kcal/mol:	-477.97
Dipole, Da:	1.72
IP(EA), eV:	-10.03(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-but-2-en-2-yl]-2-(4-fluorophenyl)-N-methyl-6-propan-2-yloxy-3H-indene-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C/1\[C@@H](OC=C(C1CC(=O)OC)C(=O)OC)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations