Geometry & MOs

Info

ID:	441371
PubChem CID:	135234365
Reduced:	SN2C7H18 (1)
Stoich.:	AB2C7D18 (1)
Weight, g/mol:	317.107674
ΔH_f, kcal/mol:	-10.92
Dipole, Da:	4.64
IP(EA), eV:	-8.16(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-6-quinolin-6-yl-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

CC(C(CSC)NC)NC

DOS

IR

Vibrations