Geometry & MOs

Info

ID:	420668
PubChem CID:	135114637
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-0.44
Dipole, Da:	2.82
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CC2CCN(CC2)C3=NC(=NC(=C3)C4CC(C4)N)COC

DOS

IR

Vibrations