Geometry & MOs

Info

ID:	433625
PubChem CID:	135173765
Reduced:	ClN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	240.049469
ΔH_f, kcal/mol:	50.11
Dipole, Da:	6.35
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dinitrophenyl)-3-methylurea

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CN=C3C(=C2)C=CN=C3Cl

DOS

IR

Vibrations