Geometry & MOs

Info

ID:	121608
PubChem CID:	50775037
Reduced:	ClO3N5H24C27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	501.156767
ΔH_f, kcal/mol:	-26.31
Dipole, Da:	2.21
IP(EA), eV:	-9.29(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-[(3-chlorophenyl)methyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations