Geometry & MOs

Info

ID:	137317
PubChem CID:	52189861
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	7.62
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)N2CCC[C@H]2C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations