Geometry & MOs

Info

ID:	388183
PubChem CID:	134988485
Reduced:	PO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-128.16
Dipole, Da:	4.94
IP(EA), eV:	-9.72(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-benzylidene-5-(2-methoxyethyl)-2,3-dihydropyrrole

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(CCC(=O)OC)C#C

DOS

IR

Vibrations