Geometry & MOs

Info

ID:	127842
PubChem CID:	51019343
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	1.48
IP(EA), eV:	-9.71(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4,6,9a,11a-tetramethyl-2-pyrazin-2-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)O[C@@H]2[C@@H]3[C@H]4CC[C@@H]([C@@H]3CO2)C=C4)C(C)C

DOS

IR

Vibrations