Geometry & MOs

Info

ID:	417531
PubChem CID:	135099380
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	305.153955
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	3.28
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN1CCN(CC1)C2=NC=CC=N2)OC3=CN=CC=C3

DOS

IR

Vibrations