Geometry & MOs

Info

ID:	45887
PubChem CID:	10518720
Reduced:	N2O2C7H9 (2)
Stoich.:	A2B2C7D9 (2)
Weight, g/mol:	306.179491
ΔH_f, kcal/mol:	14.09
Dipole, Da:	9.21
IP(EA), eV:	-9.65(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aS,7R,7aR,12bS)-7-amino-3-methyl-5,6-ditritio-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Drug info:

PubChemData

Smile

CC1(CCCCC1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations