Geometry & MOs

Info

ID:	420335
PubChem CID:	135112556
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	338.167353
ΔH_f, kcal/mol:	-53.53
Dipole, Da:	6.36
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)C(=O)C5=CC=CC=N5

DOS

IR

Vibrations