Geometry & MOs

Info

ID:	121626
PubChem CID:	50775197
Reduced:	ClO3N5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	495.203717
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	2.8
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C)C)N3C1=NN(C3=O)CC4=CC=CC=C4Cl

DOS

IR

Vibrations