Geometry & MOs

Info

ID:	422096
PubChem CID:	135117188
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-60.93
Dipole, Da:	3.91
IP(EA), eV:	-8.78(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)CN2CCCN(CC2)C(=O)C3(CCCO3)C

DOS

IR

Vibrations