Geometry & MOs

Info

ID:	61452
PubChem CID:	26709511
Reduced:	NOC8H10 (3)
Stoich.:	ABC8D10 (3)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.012011
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CN3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5

DOS

IR

Vibrations