Geometry & MOs

Info

ID:	422696
PubChem CID:	135118261
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-3.49
Dipole, Da:	2.25
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylimidazol-4-yl)methyl-(3-phenylbutyl)amino]ethanol

Drug info:

PubChemData

Smile

CN(CC1=CC2=CC=CC=C2N=C1)C(=O)CSCCN3CCCC3

DOS

IR

Vibrations