Geometry & MOs

Info

ID:	141834
PubChem CID:	52936061
Reduced:	SN4O4H12C14 (1)
Stoich.:	AB4C4D12E14 (1)
Weight, g/mol:	414.216809
ΔH_f, kcal/mol:	-44.91
Dipole, Da:	6.31
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-7-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinolin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)S(=O)(=O)N2C=C(C=N2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations