Geometry & MOs

Info

ID:	190079
PubChem CID:	77950958
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	5.1
IP(EA), eV:	-8.65(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-3-yl N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-4-ethyl-2-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CCN1C(=C2CN(C(C2=N1)(C)C)C(=O)OC(CN(C)C)C3=CC=CC=C3)N

DOS

IR

Vibrations