Geometry & MOs

Info

ID:	127900
PubChem CID:	51022108
Reduced:	N2O3H8C11 (2)
Stoich.:	A2B3C8D11 (2)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-150.22
Dipole, Da:	10.03
IP(EA), eV:	-8.81(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-4,7,7-trimethyl-2-[(E)-2-methylhex-2-enoyl]-2-azabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

C[C@]12[C@@](C[C@H](O1)N3C=NC4=C5C(=C6C7=CC=CC=C7N2C6=C43)C(=O)NC5=O)(C(=O)OC)O

DOS

IR

Vibrations