Geometry & MOs

Info

ID:	414397
PubChem CID:	135087355
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	345.130026
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	4.02
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N2CCCN(CC2)C(=O)[C@@H]3CC[C@@H]([C@@H](C3)OC)O

DOS

IR

Vibrations