Geometry & MOs

Info

ID:	163080
PubChem CID:	57636261
Reduced:	ON3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	442.166826
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	5.1
IP(EA), eV:	-8.14(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NCC2CCCCC2)N

DOS

IR

Vibrations