Geometry & MOs

Info

ID:	67443
PubChem CID:	46506488
Reduced:	SO3N5C29H33 (1)
Stoich.:	AB3C5D29E33 (1)
Weight, g/mol:	398.104672
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	9.66
IP(EA), eV:	-8.46(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-chlorophenyl)methylideneamino]-3-phenyltriazolo[1,5-a]quinazolin-5-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCN(CC5)C6CCCCC6

DOS

IR

Vibrations