Geometry & MOs

Info

ID:	387048
PubChem CID:	134983784
Reduced:	NOC6F13 (1)
Stoich.:	ABC6D13 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-633.39
Dipole, Da:	0.98
IP(EA), eV:	-11.3(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-1-phenylpent-1-yn-3-one

Drug info:

PubChemData

Smile

C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(C(F)(F)F)N=O

DOS

IR

Vibrations