Geometry & MOs

Info

ID:	283198
PubChem CID:	103963783
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	257.073517
ΔH_f, kcal/mol:	-52.14
Dipole, Da:	9.52
IP(EA), eV:	-9.72(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

DOS

IR

Vibrations