Geometry & MOs

Info

ID:	421596
PubChem CID:	135116280
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	296.108482
ΔH_f, kcal/mol:	-128.51
Dipole, Da:	2.38
IP(EA), eV:	-9.05(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CC3=C(NC(=NC3=O)C)C)OCC1

DOS

IR

Vibrations