Geometry & MOs

Info

ID:	415285
PubChem CID:	135088277
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	311.103669
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	3.02
IP(EA), eV:	-8.72(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations