Geometry & MOs

Info

ID:	172116
PubChem CID:	75468742
Reduced:	BrN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	4.84
IP(EA), eV:	-9.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-cyclohex-2-en-1-ylurea

Drug info:

PubChemData

Smile

C1COCC1C2=NOC(=N2)CC34CC5CC(C3)CC(C5)(C4)Br

DOS

IR

Vibrations