Geometry & MOs

Info

ID:	432683
PubChem CID:	135172819
Reduced:	F3O8C35H37 (1)
Stoich.:	A3B8C35D37 (1)
Weight, g/mol:	189.15175
ΔH_f, kcal/mol:	-435.14
Dipole, Da:	6.52
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-ethyl-2-methyl-6-methylideneoct-3-en-7-yn-4-yl]methanimine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)C3=CC=C(C=C3)CCCCC(F)(F)F

DOS

IR

Vibrations