Geometry & MOs

Info

ID:	362276
PubChem CID:	127307295
Reduced:	FON2C10H15 (2)
Stoich.:	ABC2D10E15 (2)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-172.55
Dipole, Da:	3.26
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)NC(=O)NC2CCCN(C2)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations