Geometry & MOs

Info

ID:	162782
PubChem CID:	57570847
Reduced:	ClO2N4C36H45 (1)
Stoich.:	AB2C4D36E45 (1)
Weight, g/mol:	607.296555
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	3.53
IP(EA), eV:	-8.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrrolidin-3-yl)methyl]-3-chloro-4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxybenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)CN3CCC(CC3)OC4=C(C=C(C=C4)C(=O)NCC(C)(C)N5CCCCC5)Cl)C6=CC=CC=C61

DOS

IR

Vibrations