Geometry & MOs

Info

ID:	421499
PubChem CID:	135116125
Reduced:	ON5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	44.38
Dipole, Da:	3.82
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C=CN=C1CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations