Geometry & MOs

Info

ID:	121605
PubChem CID:	50774903
Reduced:	FO4N6C26H29 (1)
Stoich.:	AB4C6D26E29 (1)
Weight, g/mol:	466.232853
ΔH_f, kcal/mol:	-150.98
Dipole, Da:	4.98
IP(EA), eV:	-9.41(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-prop-2-enyl-[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)NCC4=CC=C(C=C4)F)C(C)C

DOS

IR

Vibrations