Geometry & MOs

Info

ID:	378435
PubChem CID:	134224516
Reduced:	N2O4F6H28C37 (1)
Stoich.:	A2B4C6D28E37 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-387.33
Dipole, Da:	0.85
IP(EA), eV:	-9.03(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(C5=CC6=C(C=C5)C(=O)N(C6=O)C(C)(C)C)(C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations