Geometry & MOs

Info

ID:	345632
PubChem CID:	127269932
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	397.06372
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	5.87
IP(EA), eV:	-8.56(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNC(=O)NC2CCCNC2=O)N3CCCCC3

DOS

IR

Vibrations