Geometry & MOs

Info

ID:	420739
PubChem CID:	135114744
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	362.147786
ΔH_f, kcal/mol:	-154.07
Dipole, Da:	0.93
IP(EA), eV:	-8.48(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(C1)C(CC(=O)O2)C(=O)N3CCC4(CC3)C5=C(CCO4)C6=CC=CC=C6N5

DOS

IR

Vibrations