Geometry & MOs

Info

ID:	149857
PubChem CID:	53789536
Reduced:	F4N4O4C9H10 (1)
Stoich.:	A4B4C4D9E10 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-259.99
Dipole, Da:	9.9
IP(EA), eV:	-10.21(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-methyl-2-oxopent-3-enoate

Drug info:

PubChemData

Smile

C1=C(NC(=N1)[N+](=O)[O-])CC(COCC(C(=O)N)(F)F)(F)F

DOS

IR

Vibrations