Geometry & MOs

Info

ID:	186242
PubChem CID:	77410133
Reduced:	OF2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	493.156848
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	4.63
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl) N-[4-(4-chlorophenyl)-1-(4-cyanocyclohexa-1,5-diene-1-carbonyl)-4-methylpyrrolidin-3-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1C(COC(C1N)C2CC(=CC=C2F)F)N3CC4=C5N=CC=CN5N=C4C3

DOS

IR

Vibrations