Geometry & MOs

Info

ID:	444836
PubChem CID:	135263680
Reduced:	NPO4C15H28 (1)
Stoich.:	ABC4D15E28 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-265.89
Dipole, Da:	4.14
IP(EA), eV:	-7.83(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aR,8aS)-2,4a,8,8-tetramethyl-7-oxo-2,3,4,8a-tetrahydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OP(=O)(OCCN1CC=CC=C1)OC(C)(C)C

DOS

IR

Vibrations