Geometry & MOs

Info

ID:	421533
PubChem CID:	135116172
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	380.191149
ΔH_f, kcal/mol:	-124.95
Dipole, Da:	6.46
IP(EA), eV:	-8.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OCC(=O)N2CCCC2)C3C[C@@H]4CC(C[C@@H]4C3)O

DOS

IR

Vibrations