Geometry & MOs

Info

ID:	148422
PubChem CID:	53788084
Reduced:	F2O5N7H23C28 (1)
Stoich.:	A2B5C7D23E28 (1)
Weight, g/mol:	402.13068
ΔH_f, kcal/mol:	-100.49
Dipole, Da:	18.05
IP(EA), eV:	-8.29(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(bromomethoxy)phenyl]-4-phenylpiperidin-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=C(C(=NC(=C2F)OC3=CC(=C(N)N)C=CC3=O)OC4=CC=CC(=C4)N=C(N)N)F)C=CC(=O)N

DOS

IR

Vibrations