Geometry & MOs

Info

ID:	434356
PubChem CID:	135174770
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	4.09
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(4-methylsulfonylphenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CCNCCOC1=CC2=C(C=C1)OC(=C2)C(=O)C(C)C

DOS

IR

Vibrations