Geometry & MOs

Info

ID:	421440
PubChem CID:	135116017
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	374.147786
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	7.69
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S,6R,7R)-6-[(1,3-benzodioxole-5-carbonylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)NC(C)C2=NC(=NO2)CCOC

DOS

IR

Vibrations