Geometry & MOs

Info

ID:	446129
PubChem CID:	135272583
Reduced:	NC13H27 (1)
Stoich.:	AB13C27 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-43.95
Dipole, Da:	1.09
IP(EA), eV:	-8.24(2.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCCCN1C(C)(C)C

DOS

IR

Vibrations