Geometry & MOs

Info

ID:	309634
PubChem CID:	126551509
Reduced:	FO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	159.100777
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	3.11
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-1-nitroso-3-propan-2-ylurea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C=C)F

DOS

IR

Vibrations