Geometry & MOs

Info

ID:	423753
PubChem CID:	135120158
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	345.130026
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	4.13
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[6-(trifluoromethyl)pyridin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CCN1C(=O)C2=C(ON=C2N3CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations