Geometry & MOs

Info

ID:	415563
PubChem CID:	135088559
Reduced:	NO7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	372.182923
ΔH_f, kcal/mol:	-284.96
Dipole, Da:	4.6
IP(EA), eV:	-8.49(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations