Geometry & MOs

Info

ID:	423331
PubChem CID:	135119321
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	4.44
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)COC3=CN=CC=C3

DOS

IR

Vibrations