Geometry & MOs

Info

ID:	366676
PubChem CID:	127320205
Reduced:	OSN5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	392.207307
ΔH_f, kcal/mol:	16.61
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CN3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations