Geometry & MOs

Info

ID:	423909
PubChem CID:	135120710
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-156.18
Dipole, Da:	5.76
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)CN4CCCCC4)OC

DOS

IR

Vibrations