Geometry & MOs

Info

ID:	423325
PubChem CID:	135119314
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	6.14
IP(EA), eV:	-8.85(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations