Geometry & MOs

Info

ID:	122271
PubChem CID:	50800586
Reduced:	FN5H18C21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	467.151288
ΔH_f, kcal/mol:	77.25
Dipole, Da:	3.53
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=NC3=NC(=NN3C(=C2C1)NC4=CC(=CC=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations