Geometry & MOs

Info

ID:	417508
PubChem CID:	135096495
Reduced:	FN4O5C36H43 (1)
Stoich.:	AB4C5D36E43 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-224.94
Dipole, Da:	9.69
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3CC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations