Geometry & MOs

Info

ID:	127365
PubChem CID:	51000354
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-118.26
Dipole, Da:	3.67
IP(EA), eV:	-8.96(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CNCC2

DOS

IR

Vibrations