Geometry & MOs

Info

ID:	419973
PubChem CID:	135110445
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	372.064363
ΔH_f, kcal/mol:	-31.74
Dipole, Da:	6.57
IP(EA), eV:	-9.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[2-(2,4-dichlorophenoxy)acetyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C(C=N1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations