Geometry & MOs

Info

ID:	128034
PubChem CID:	51028026
Reduced:	ClSO4N8C26H27 (1)
Stoich.:	ABC4D8E26F27 (1)
Weight, g/mol:	142.123189
ΔH_f, kcal/mol:	129.39
Dipole, Da:	12.02
IP(EA), eV:	-9.06(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,2R,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]azanium

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)CC23NN=C4N(N3)C5=NN(C(C5S4)C6=CC=C(C=C6)Cl)C7=C(C=C(C=C7)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations