Geometry & MOs

Info

ID:	285884
PubChem CID:	104135294
Reduced:	BrO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	295.14514
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	3.41
IP(EA), eV:	-8.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-ethylpyridin-4-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)NCC2=CC=C(C=C2)OCC(=O)N

DOS

IR

Vibrations