Geometry & MOs

Info

ID:	26691
PubChem CID:	794619
Reduced:	ClOSN2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	261.101445
ΔH_f, kcal/mol:	7.04
Dipole, Da:	4.42
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

Drug info:

PubChemData

Smile

CCSC1=C([C@@H](C(=C(N1)C)C(=O)C)C2=CC=CC=C2Cl)C#N

DOS

IR

Vibrations