Geometry & MOs

Info

ID:	315996
PubChem CID:	126629590
Reduced:	Cl3N4O4C16H27 (1)
Stoich.:	A3B4C4D16E27 (1)
Weight, g/mol:	204.112585
ΔH_f, kcal/mol:	-207.66
Dipole, Da:	4.56
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,7Z)-2-methyl-5-(trifluoromethyl)nona-2,4,7-triene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](N1)C(=O)OCC(Cl)(Cl)Cl)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations