Geometry & MOs

Info

ID:	346987
PubChem CID:	127271491
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	4.0
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylcyclopropyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CN2)C(=O)NC3CCSC4=CC=CC=C34

DOS

IR

Vibrations