Geometry & MOs

Info

ID:	385542
PubChem CID:	134979367
Reduced:	N4H8C13 (1)
Stoich.:	A4B8C13 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	175.58
Dipole, Da:	6.63
IP(EA), eV:	-11.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8R,8aS)-8-methoxy-8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

C1C2[C@@H]3C4C1C4[C@H]2C(C3(C#N)C#N)(C#N)C#N

DOS

IR

Vibrations