Geometry & MOs

Info

ID:	392639
PubChem CID:	135017445
Reduced:	ON4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	25.18
Dipole, Da:	4.71
IP(EA), eV:	-8.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,3S,3aR,9aS)-3-methyl-6,9-dioxo-2,3,3a,4,5,6a,7,8,9a,9b-decahydro-1H-phenalen-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N=C(N2)C3=C(C=CC=N3)N

DOS

IR

Vibrations