Geometry & MOs

Info

ID:	415528
PubChem CID:	135088524
Reduced:	NO2F6C18H19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-404.68
Dipole, Da:	4.15
IP(EA), eV:	-9.89(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN(C1C[C@@H]2CC(C[C@@H]2C1)O)C(=O)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations