Geometry & MOs

Info

ID:	419098
PubChem CID:	135107497
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	19.5
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC(=C1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations