Geometry & MOs

Info

ID:	415630
PubChem CID:	135088629
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	7.18
IP(EA), eV:	-9.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-[(5-methylfuran-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCCN(CCC1=CCCCC1)C(=O)C2=NN3CC(CNC(=O)C3=C2)O

DOS

IR

Vibrations