Geometry & MOs

Info

ID:	305696
PubChem CID:	124965875
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	3.31
IP(EA), eV:	-9.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-2-imidazol-1-ylethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN([C@@H](C1)C2=CC=CC=C2OC)C(=O)CN3C=CN=C3

DOS

IR

Vibrations