Geometry & MOs

Info

ID:	182757
PubChem CID:	76935177
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	275.088161
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	9.15
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=NO)N

DOS

IR

Vibrations