Geometry & MOs

Info

ID:	445679
PubChem CID:	135268887
Reduced:	FOSN6H19C21 (1)
Stoich.:	ABCD6E19F21 (1)
Weight, g/mol:	452.234289
ΔH_f, kcal/mol:	41.77
Dipole, Da:	4.06
IP(EA), eV:	-8.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-benzyl-2-[(3-chlorophenyl)methyl]-5-[ethenyl(methyl)amino]-1,2-dihydroimidazol-4-yl]ethenyl-methylamino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC2=CC(=C(N=C2)F)C3=NC=NC4=CC(=NC=C43)N5CCOCC5

DOS

IR

Vibrations