Geometry & MOs

Info

ID:	395821
PubChem CID:	135026646
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	310.175292
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	2.87
IP(EA), eV:	-8.54(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-[(1R,4S)-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=O)C(=CN2CC3=CC=CC=C3)CC4CCOC4=O

DOS

IR

Vibrations