Geometry & MOs

Info

ID:	77458
PubChem CID:	49635654
Reduced:	FSN3O3C18H28 (1)
Stoich.:	ABC3D3E18F28 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-176.92
Dipole, Da:	4.93
IP(EA), eV:	-9.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylimidazol-1-yl)ethyl]-3-[1-(3-nitrophenyl)ethyl]urea

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)NC(C2=CC=C(C=C2)F)C(C)(C)C

DOS

IR

Vibrations