Geometry & MOs

Info

ID:	378180
PubChem CID:	134224256
Reduced:	PF3N3O9C22H23 (1)
Stoich.:	AB3C3D9E22F23 (1)
Weight, g/mol:	193.18305
ΔH_f, kcal/mol:	-534.47
Dipole, Da:	6.16
IP(EA), eV:	-9.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-N-ethenyl-3,4,7-trimethylocta-1,3-dien-2-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC#C)NP(=O)(OC[C@H]1[C@@H](C[C@H](O1)N2C=C(C(=O)NC2=O)C(F)(F)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations