Geometry & MOs

Info

ID:	359863
PubChem CID:	127299907
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	5.65
IP(EA), eV:	-9.02(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CC(=O)NC(C)(C#N)C3CC3

DOS

IR

Vibrations