Geometry & MOs

Info

ID:	353768
PubChem CID:	127285345
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-140.56
Dipole, Da:	5.52
IP(EA), eV:	-9.32(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)CC(=O)N3CCOCC3

DOS

IR

Vibrations