Geometry & MOs

Info

ID:	11582
PubChem CID:	117984
Reduced:	ClN2O4C25H35 (1)
Stoich.:	AB2C4D25E35 (1)
Weight, g/mol:	462.228535
ΔH_f, kcal/mol:	-157.23
Dipole, Da:	5.63
IP(EA), eV:	-8.67(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN2CCCC2)C3=CC(=CC=C3)OC.Cl

DOS

IR

Vibrations