Geometry & MOs

Info

ID:	121624
PubChem CID:	50775173
Reduced:	O3N5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	499.25834
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	2.65
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)N3C4=C(C=CC(=C4)C(=O)NC5CCCC5)C(=O)N(C3=N2)CCC(C)C

DOS

IR

Vibrations