Geometry & MOs

Info

ID:	186668
PubChem CID:	77464709
Reduced:	ClN2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	584.175724
ΔH_f, kcal/mol:	33.86
Dipole, Da:	1.49
IP(EA), eV:	-9.21(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl) N-[4-[4,5-dichloro-2-(2-pyridin-2-ylpiperidine-4-carbonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1(CNCC1(CC2=CC=CC=C2)CN)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations