Geometry & MOs

Info

ID:	416729
PubChem CID:	135090182
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-103.0
Dipole, Da:	3.64
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethoxyphenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N(CCO)CC2=CN=C(N2)C)Cl

DOS

IR

Vibrations