Geometry & MOs

Info

ID:	421742
PubChem CID:	135116524
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	352.237545
ΔH_f, kcal/mol:	42.85
Dipole, Da:	4.51
IP(EA), eV:	-8.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]-N'-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CC1=CC(=NO1)C2=CC=CC=N2)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations