Geometry & MOs

Info

ID:	322307
PubChem CID:	126669700
Reduced:	N6C11H22 (1)
Stoich.:	A6B11C22 (1)
Weight, g/mol:	479.185649
ΔH_f, kcal/mol:	41.13
Dipole, Da:	6.47
IP(EA), eV:	-8.86(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,6R,8S)-9-(1,3-benzodioxol-5-ylmethyl)-4-(5-fluoropyridine-2-carbonyl)-4,9-diazatricyclo[4.3.1.03,8]decan-2-yl] cyclopropanecarboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C3=NC(NN3)N

DOS

IR

Vibrations