Geometry & MOs

Info

ID:	342117
PubChem CID:	127264830
Reduced:	NSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	327.148396
ΔH_f, kcal/mol:	-47.48
Dipole, Da:	5.0
IP(EA), eV:	-8.49(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethenyl]quinoline

Drug info:

PubChemData

Smile

CC=CCS(=O)CC1=NC(=C(O1)C)C

DOS

IR

Vibrations