Geometry & MOs

Info

ID:	298888
PubChem CID:	117663556
Reduced:	N6O7C9H10 (1)
Stoich.:	A6B7C9D10 (1)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	59.95
Dipole, Da:	11.71
IP(EA), eV:	-10.36(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R,4R,8S)-5-butyl-4-ethyl-2-hydroxy-9-methylidene-10-oxotricyclo[6.2.2.01,6]dodecane-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)/[N+](=N/OC1=C(C=C(C(=C1)ON=C)[N+](=O)[O-])[N+](=O)[O-])/[O-]

DOS

IR

Vibrations