Geometry & MOs

Info

ID:	154850
PubChem CID:	56314392
Reduced:	NF3O5C21H28 (1)
Stoich.:	AB3C5D21E28 (1)
Weight, g/mol:	434.181727
ΔH_f, kcal/mol:	-352.45
Dipole, Da:	4.17
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations