Geometry & MOs

Info

ID:	419817
PubChem CID:	135109184
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-48.95
Dipole, Da:	0.9
IP(EA), eV:	-9.12(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(4-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN(C)CC(=O)NC(C)CC

DOS

IR

Vibrations