Geometry & MOs

Info

ID:	355740
PubChem CID:	127290039
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	350.160357
ΔH_f, kcal/mol:	48.79
Dipole, Da:	7.06
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3CCN4C=NN=C4C3

DOS

IR

Vibrations