Geometry & MOs

Info

ID:	446163
PubChem CID:	135272838
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	4.12
IP(EA), eV:	-9.65(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-4a,8,8-trimethyl-7-oxo-2,3,4,5,6,8a-hexahydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

CC1([C@H]2C(CCCO2)(CCC1=O)C)C

DOS

IR

Vibrations