Geometry & MOs

Info

ID:	366645
PubChem CID:	127320174
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	2.73
IP(EA), eV:	-8.93(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[methyl(2-morpholin-4-ylethyl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CN(CCN1CCOCC1)CC(=O)NC(=O)NC2CCCCC2

DOS

IR

Vibrations