Geometry & MOs

Info

ID:	322281
PubChem CID:	126669586
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-159.47
Dipole, Da:	4.45
IP(EA), eV:	-9.19(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,2S,8R)-2-hydroxy-4-(2-methoxyacetyl)-4,9-diazatricyclo[4.3.1.03,8]decan-9-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2C[C@@H](C1)C(N(C2)C(=O)COC)[C@H](C)O

DOS

IR

Vibrations