Geometry & MOs

Info

ID:	423402
PubChem CID:	135119433
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	310.10842
ΔH_f, kcal/mol:	20.36
Dipole, Da:	1.69
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(3-chloro-4-methoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations