Geometry & MOs

Info

ID:	127832
PubChem CID:	51018787
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-94.12
Dipole, Da:	1.26
IP(EA), eV:	-9.65(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[[(1S,2S,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C/C=C/[C@H]1O[C@H]2[C@@H]3CC[C@@]([C@H]2O1)(C3(C)C)C

DOS

IR

Vibrations