Geometry & MOs

Info

ID:	68433
PubChem CID:	46508399
Reduced:	ClO2F3N5C22H23 (1)
Stoich.:	AB2C3D5E22F23 (1)
Weight, g/mol:	353.195071
ΔH_f, kcal/mol:	-198.1
Dipole, Da:	4.94
IP(EA), eV:	-8.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-hexylurea

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

DOS

IR

Vibrations