Geometry & MOs

Info

ID:

121610

PubChem CID:

50775039

Reduced:

O3N5H29C30 (1)

Stoich.:

A3B5C29D30 (1)

Weight, g/mol:

509.24269

ΔHf, kcal/mol:

-27.36

Dipole, Da:

5.44

IP(EA), eV:

 -9.17(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)methyl]-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)N3C4=C(C=CC(=C4)C(=O)NC5CCCC5)C(=O)N(C3=N2)CC6=CC=CC=C6

DOS

IR

Vibrations