Geometry & MOs

Info

ID:	423103
PubChem CID:	135118947
Reduced:	ON5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	5.01
IP(EA), eV:	-8.34(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC(=O)N(C)C4CCCCC4

DOS

IR

Vibrations