Geometry & MOs

Info

ID:	326150
PubChem CID:	126686760
Reduced:	SF2N2O2H12C14 (1)
Stoich.:	AB2C2D2E12F14 (1)
Weight, g/mol:	153.115364
ΔH_f, kcal/mol:	-115.98
Dipole, Da:	5.53
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-cyclopropyl-3-methyl-4-(methylamino)but-2-en-1-one

Drug info:

PubChemData

Smile

C1C2=C(C(=NC=C2)OCC(F)F)C(=O)N1CC3=CC=CS3

DOS

IR

Vibrations