Geometry & MOs

Info

ID:	216425
PubChem CID:	85086220
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	8.38
IP(EA), eV:	-8.37(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CC(=O)C=CN1C(=C(O)OC)C(C)CC

DOS

IR

Vibrations