Geometry & MOs

Info

ID:	235048
PubChem CID:	92303946
Reduced:	FN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	422.200571
ΔH_f, kcal/mol:	-175.75
Dipole, Da:	1.76
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(3S)-3-(3-fluorophenyl)-3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2F)C)COC3=CC=CC(=C3C)C

DOS

IR

Vibrations