Geometry & MOs

Info

ID:	46282
PubChem CID:	10523711
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	378.295407
ΔH_f, kcal/mol:	-26.43
Dipole, Da:	2.66
IP(EA), eV:	-8.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-1-[(2R)-6-ethyl-6-trimethylsilyloxyoctan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one

Drug info:

PubChemData

Smile

CC(C)N(CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O)C(C)C

DOS

IR

Vibrations