Geometry & MOs

Info

ID:	342761
PubChem CID:	127265924
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	291.083076
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	1.49
IP(EA), eV:	-9.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-3-(1,1,1-trifluoropropan-2-yl)urea

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)NCCN2C=C(N=C2)C(=O)OCC

DOS

IR

Vibrations