Geometry & MOs

Info

ID:	238190
PubChem CID:	92729775
Reduced:	FO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	445.21322
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	6.99
IP(EA), eV:	-8.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[1-[(5-chloro-1-methylindol-3-yl)methyl]piperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC(=C3C(=C2)C=CC(=N3)N4CCOCC4)F

DOS

IR

Vibrations