Geometry & MOs

Info

ID:	196597
PubChem CID:	78851916
Reduced:	ClFON4H18C19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	431.09569
ΔH_f, kcal/mol:	-1.48
Dipole, Da:	4.41
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)Cl)C(=O)N(C)C(C)C3=CC=CC=C3F

DOS

IR

Vibrations