Geometry & MOs

Info

ID:	152027
PubChem CID:	56310875
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	-93.17
Dipole, Da:	5.37
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3N4CCCC4=O

DOS

IR

Vibrations