Geometry & MOs

Info

ID:	417837
PubChem CID:	135102895
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-5.41
Dipole, Da:	5.97
IP(EA), eV:	-8.84(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCN(C)C(=O)C2=CC=C(C=C2)CN3CCCCCC3)C

DOS

IR

Vibrations