Geometry & MOs

Info

ID:	305159
PubChem CID:	124766758
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	332.194737
ΔH_f, kcal/mol:	-102.09
Dipole, Da:	8.04
IP(EA), eV:	-9.92(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-1-(6-hydroxy-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)pentane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](C1)NC(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations