Geometry & MOs

Info

ID:	302847
PubChem CID:	124397483
Reduced:	N2O5C28H36 (1)
Stoich.:	A2B5C28D36 (1)
Weight, g/mol:	264.245316
ΔH_f, kcal/mol:	-203.07
Dipole, Da:	4.01
IP(EA), eV:	-8.96(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aR,7aR)-7a-methyl-1-[(2S)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C

DOS

IR

Vibrations