Geometry & MOs

Info

ID:	416618
PubChem CID:	135089835
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	5.26
IP(EA), eV:	-8.27(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC=CS3)O

DOS

IR

Vibrations