Geometry & MOs

Info

ID:	358229
PubChem CID:	127295774
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-69.94
Dipole, Da:	4.73
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCC3=NC=CS3

DOS

IR

Vibrations