Geometry & MOs

Info

ID:	305582
PubChem CID:	124960920
Reduced:	N4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	72.81
Dipole, Da:	1.73
IP(EA), eV:	-8.9(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(2-methoxyphenyl)-4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CN=C3C(=C2)C=CN3)CC4=CN=CC=C4

DOS

IR

Vibrations