Geometry & MOs

Info

ID:	162778
PubChem CID:	57570791
Reduced:	ClO2N4C35H45 (1)
Stoich.:	AB2C4D35E45 (1)
Weight, g/mol:	481.272927
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	6.03
IP(EA), eV:	-8.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[1-[[4-(2-phenylethynyl)phenyl]methyl]piperidin-4-yl]oxybenzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CNC(=O)C2=CC(=C(C=C2)OC3CCN(CC3)CC(C4=CC=CC=C4)C5=CC=CC=C5)Cl)N(C)C

DOS

IR

Vibrations