Geometry & MOs

Info

ID:	418384
PubChem CID:	135104451
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	4.45
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(6-methylquinolin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations