Geometry & MOs

Info

ID:	418786
PubChem CID:	135106797
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	2.04
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)C2=C3C(=C(SC3=NC=N2)C)C)C(=O)O

DOS

IR

Vibrations