Geometry & MOs

Info

ID:	398148
PubChem CID:	135031982
Reduced:	NSO3F4C13H15 (1)
Stoich.:	ABC3D4E13F15 (1)
Weight, g/mol:	311.224915
ΔH_f, kcal/mol:	-315.59
Dipole, Da:	4.56
IP(EA), eV:	-8.41(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-benzyl-3-but-3-enyl-4-(1-ethoxybut-3-enylidene)pyrrolidine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(CC2CC(C(F)(F)F)F)S(=O)(=O)C

DOS

IR

Vibrations