Geometry & MOs

Info

ID:	343132
PubChem CID:	127266305
Reduced:	FO3N5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	349.094167
ΔH_f, kcal/mol:	-27.73
Dipole, Da:	12.02
IP(EA), eV:	-9.3(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-methyl-5-nitrophenyl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea

Drug info:

PubChemData

Smile

CN1C2=C(CN(CCC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C=N1

DOS

IR

Vibrations