Geometry & MOs

Info

ID:	416970
PubChem CID:	135090933
Reduced:	NSF2O5C16H19 (1)
Stoich.:	ABC2D5E16F19 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-270.23
Dipole, Da:	8.15
IP(EA), eV:	-10.24(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations