Geometry & MOs

Info

ID:	23723
PubChem CID:	605531
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	83.6
Dipole, Da:	4.29
IP(EA), eV:	-8.33(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazolin-2-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(N3C(=NC(=N3)N)N2)C4=CC=CC=C4

DOS

IR

Vibrations