Geometry & MOs

Info

ID:	177033
PubChem CID:	76126722
Reduced:	NPO7C25H30 (1)
Stoich.:	ABC7D25E30 (1)
Weight, g/mol:	215.134385
ΔH_f, kcal/mol:	-270.87
Dipole, Da:	8.03
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethoxy(ethylsulfanyl)methyl]-4-ethylidenepyrrolidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCP(=O)(C2=CC=C(C=C2)CCNCC(COC3=CC(=C(C=C3)O)CO)O)O

DOS

IR

Vibrations