Geometry & MOs

Info

ID:	352411
PubChem CID:	127283498
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-125.97
Dipole, Da:	8.11
IP(EA), eV:	-9.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3CC3)C

DOS

IR

Vibrations