Geometry & MOs

Info

ID:	416207
PubChem CID:	135089217
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	6.86
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=NN5)OCC2

DOS

IR

Vibrations