Geometry & MOs

Info

ID:	137635
PubChem CID:	52237588
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	415.170748
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	4.01
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorobenzoyl)-N-[4-(ethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations