Geometry & MOs

Info

ID:	420464
PubChem CID:	135113285
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-178.78
Dipole, Da:	5.06
IP(EA), eV:	-9.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[2-(furan-2-yl)phenyl]methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC[C@@H]1O)O

DOS

IR

Vibrations