Geometry & MOs

Info

ID:	419338
PubChem CID:	135107996
Reduced:	ClFO2N3C16H19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	5.73
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCN(CC1=NC=CN1C)C(=O)C(C)OC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations