Geometry & MOs

Info

ID:	57505
PubChem CID:	22396545
Reduced:	NOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	4.98
IP(EA), eV:	-11.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(2-fluoro-5-methoxyphenyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC12CC1C(=O)N(C2=O)CC#N

DOS

IR

Vibrations