Geometry & MOs

Info

ID:	192556
PubChem CID:	78285540
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	394.123025
ΔH_f, kcal/mol:	-206.82
Dipole, Da:	4.01
IP(EA), eV:	-9.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CC(=O)N2)C(=O)OCC3=CC(=O)OC4=C3C=C5CCCC5=C4

DOS

IR

Vibrations