Geometry & MOs

Info

ID:	415271
PubChem CID:	135088263
Reduced:	ClNF3O3C18H21 (1)
Stoich.:	ABC3D3E18F21 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-304.78
Dipole, Da:	4.69
IP(EA), eV:	-9.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl)O

DOS

IR

Vibrations