Geometry & MOs

Info

ID:	356796
PubChem CID:	127292336
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	397.06372
ΔH_f, kcal/mol:	-114.98
Dipole, Da:	4.67
IP(EA), eV:	-8.82(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NCC(C2=CC=CC=C2OC)N3CCCCC3

DOS

IR

Vibrations