Geometry & MOs

Info

ID:	422691
PubChem CID:	135118255
Reduced:	ClON4C20H27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	2.76
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(NN=C3)C4=CC=C(C=C4)Cl)CO

DOS

IR

Vibrations