Geometry & MOs

Info

ID:	122269
PubChem CID:	50800584
Reduced:	FON5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	419.151288
ΔH_f, kcal/mol:	54.99
Dipole, Da:	5.65
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(N3C(=NC(=N3)C4=CC=CO4)N=C2C1)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations