Geometry & MOs

Info

ID:	131838
PubChem CID:	51267794
Reduced:	BrO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	-26.91
Dipole, Da:	3.33
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

C=CCNC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2Br

DOS

IR

Vibrations