Geometry & MOs

Info

ID:	121462
PubChem CID:	50769024
Reduced:	O3N5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-10.85
Dipole, Da:	3.63
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[(4-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN(C4=O)CC(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations