Geometry & MOs

Info

ID:	433972
PubChem CID:	135174121
Reduced:	BrN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	366.267114
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	4.79
IP(EA), eV:	-9.08(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-phenylpropan-2-yl)phenoxy]-N-(piperidin-4-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)COC2=CC=CC(=C2)CNCC3CNC3)Br

DOS

IR

Vibrations