Geometry & MOs

Info

ID:	121613
PubChem CID:	50775042
Reduced:	N5O5C24H25 (1)
Stoich.:	A5B5C24D25 (1)
Weight, g/mol:	485.186318
ΔH_f, kcal/mol:	-118.18
Dipole, Da:	6.26
IP(EA), eV:	-9.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations