Geometry & MOs

Info

ID:	344179
PubChem CID:	127267355
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	339.114983
ΔH_f, kcal/mol:	2.76
Dipole, Da:	2.52
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-5-fluoropyridine-3-carbonyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCC1=CC=C(C=C1)NC(=O)C2=CC(=NO2)Cl

DOS

IR

Vibrations