Geometry & MOs

Info

ID:	343167
PubChem CID:	127266340
Reduced:	FNO2C8H11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	282.09642
ΔH_f, kcal/mol:	-257.82
Dipole, Da:	6.66
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-methyl-N-[(2-methyl-3-nitrophenyl)carbamoylamino]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)NCCCOC2CCCCO2)F)F

DOS

IR

Vibrations