Geometry & MOs

Info

ID:	122270
PubChem CID:	50800585
Reduced:	ClON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	359.154624
ΔH_f, kcal/mol:	69.12
Dipole, Da:	4.29
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC2=C3CCCCC3=NC4=NC(=NN24)C5=CC=CC=C5

DOS

IR

Vibrations