Geometry & MOs

Info

ID:	364735
PubChem CID:	127316041
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	7.98
Dipole, Da:	5.08
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations