Geometry & MOs

Info

ID:	123184
PubChem CID:	50836619
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	466.232853
ΔH_f, kcal/mol:	-3.07
Dipole, Da:	3.08
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[2-[2-(cyclopentylamino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNC(=O)C2=NC(=NO2)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

DOS

IR

Vibrations