Geometry & MOs

Info

ID:	196204
PubChem CID:	78797776
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	411.092059
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	3.05
IP(EA), eV:	-8.36(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Drug info:

PubChemData

Smile

CN1C=C(C=N1)COC(=O)CCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations