Geometry & MOs

Info

ID:	353660
PubChem CID:	127285237
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	4.06
IP(EA), eV:	-9.44(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3-oxopiperazin-1-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NC2(CCC2)C3=CC=CC=C3

DOS

IR

Vibrations