Geometry & MOs

Info

ID:	387650
PubChem CID:	134986298
Reduced:	N2F3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-160.36
Dipole, Da:	1.09
IP(EA), eV:	-9.29(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butan-2-yl-4-methoxycyclohexa-2,5-dien-1-ylidene)acetamide

Drug info:

PubChemData

Smile

CC(C)/C(=N/N=C(C)C)/CC(F)(F)F

DOS

IR

Vibrations