Geometry & MOs

Info

ID:	121632
PubChem CID:	50775316
Reduced:	O4N5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	8.18
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2,4-dimethyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CN2C(=O)N3C4=C(C=CC(=C4)C(=O)NC5CCCCC5)C(=O)N(C3=N2)C

DOS

IR

Vibrations