Geometry & MOs

Info

ID:	127545
PubChem CID:	51005818
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-106.75
Dipole, Da:	2.14
IP(EA), eV:	-9.64(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(1R,2R,4S)-3-propan-2-ylidene-2-bicyclo[2.2.1]hept-5-enyl]propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12CC[C@@H]([C@H](C1)C=CC2)C

DOS

IR

Vibrations