Geometry & MOs

Info

ID:	121625
PubChem CID:	50775174
Reduced:	O3N5C29H33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	495.203717
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	6.05
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-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)NC3CCCC3)N4C1=NN(C4=O)CC5=CC=C(C=C5)C=C

DOS

IR

Vibrations