Geometry & MOs

Info

ID:	315272
PubChem CID:	126625361
Reduced:	O3C27H38 (1)
Stoich.:	A3B27C38 (1)
Weight, g/mol:	458.256943
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	2.84
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpiperidin-4-yl) 2-[3-(3-aminopropoxy)phenyl]-2-phenylacetate

Drug info:

PubChemData

Smile

CCC(C)(C)OC(=O)C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(C)(CC)CC

DOS

IR

Vibrations