Geometry & MOs

Info

ID:	386379
PubChem CID:	134981570
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	285.07283
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	2.41
IP(EA), eV:	-9.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,6S,8aS)-6-bromo-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](O1)C(=C)C(=O)OC

DOS

IR

Vibrations