Geometry & MOs

Info

ID:	305808
PubChem CID:	124970011
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-100.79
Dipole, Da:	4.97
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=N1)C2CCN(CC2)[C@@H]3COC[C@H]3O

DOS

IR

Vibrations