Geometry & MOs

Info

ID:	306679
PubChem CID:	125165282
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	3.73
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-4-[2-[(3S)-oxan-3-yl]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC=CC=C1)N(C)CCC(C)(C)O

DOS

IR

Vibrations