Geometry & MOs

Info

ID:	137318
PubChem CID:	52189862
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-30.22
Dipole, Da:	5.57
IP(EA), eV:	-9.26(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-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)N[C@@H](C)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations