Geometry & MOs

Info

ID:	417553
PubChem CID:	135102028
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-98.68
Dipole, Da:	5.99
IP(EA), eV:	-9.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]chromen-4-one

Drug info:

PubChemData

Smile

CCCC1(CCC1)CNC(=O)C2=NN3CC(CNC(=O)C3=C2)O

DOS

IR

Vibrations