Geometry & MOs

Info

ID:	144077
PubChem CID:	53307406
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	447.138341
ΔH_f, kcal/mol:	-54.31
Dipole, Da:	6.45
IP(EA), eV:	-9.16(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-aminophenyl)ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide;hydrochloride

Drug info:

PubChemData

Smile

CCCC(C1=C(N2C(=CC(=N2)C(C)(C)C)N=C1C)C3=C(C=C(C=C3)C)Cl)C(=O)O

DOS

IR

Vibrations