Geometry & MOs

Info

ID:	420566
PubChem CID:	135113982
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	5.07
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations