Geometry & MOs

Info

ID:	196176
PubChem CID:	78793441
Reduced:	BrFON4H14C19 (1)
Stoich.:	ABCD4E14F19 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	24.23
Dipole, Da:	2.37
IP(EA), eV:	-9.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations