Geometry & MOs

Info

ID:	420651
PubChem CID:	135114584
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	404.202382
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	6.61
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-[(2,4-difluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CC(=O)C4=C(N3)C(=CC=C4)F)O

DOS

IR

Vibrations