Geometry & MOs

Info

ID:	217175
PubChem CID:	85087376
Reduced:	NOC23H33 (1)
Stoich.:	ABC23D33 (1)
Weight, g/mol:	339.201841
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	4.15
IP(EA), eV:	-9.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-ethyl-5-(2-trimethylsilylethynyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-(1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CCCCC=CCCCCCCCC1=CC(=O)C2=CC=CC=C2C1N

DOS

IR

Vibrations