Geometry & MOs

Info

ID:	221092
PubChem CID:	85256785
Reduced:	OH18C20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	34.9
Dipole, Da:	3.76
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,3-dimethyl-5-oxooxolan-2-ylidene)ethyl]-4,4,5-trimethyl-3H-pyrrole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=C(C1)C2=CC=CC=C2C=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations