Geometry & MOs

Info

ID:	415770
PubChem CID:	135088770
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	283.119988
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	4.91
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CNC(=O)C=N3)OCC1

DOS

IR

Vibrations