Geometry & MOs

Info

ID:	279010
PubChem CID:	103840458
Reduced:	N2O2F3C10H17 (1)
Stoich.:	A2B2C3D10E17 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-256.71
Dipole, Da:	3.95
IP(EA), eV:	-9.49(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-hydroxyhexyl)-3-(4-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)COCC(F)(F)F)CN

DOS

IR

Vibrations