Geometry & MOs

Info

ID:	342862
PubChem CID:	127266025
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	2.77
IP(EA), eV:	-8.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NCC(=O)NCCN1CCOCC1

DOS

IR

Vibrations