Geometry & MOs

Info

ID:	423971
PubChem CID:	135120898
Reduced:	SO4N5C24H27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	325.123798
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	6.39
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

C1CN2C=C(CO[C@H]3CN(C[C@@H]3NC(=O)C4=CC(=CC=C4)OC1)C(=O)CCC5=CSC=C5)N=N2

DOS

IR

Vibrations