Geometry & MOs

Info

ID:	350037
PubChem CID:	127276910
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	8.92
IP(EA), eV:	-8.88(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(CC2=NN=C3N2CCCCC3)C4CCC(CC4)O

DOS

IR

Vibrations