Geometry & MOs

Info

ID:	432810
PubChem CID:	135172947
Reduced:	NO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	461.267842
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	6.43
IP(EA), eV:	-8.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-1-[4-[1-hydroxy-2-[(5E)-6-methyl-1,4-dihydro-2,4-benzodiazocin-1-yl]ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)OCC(=O)O

DOS

IR

Vibrations