Geometry & MOs

Info

ID:	370890
PubChem CID:	127341216
Reduced:	O3N4C16H28 (1)
Stoich.:	A3B4C16D28 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-156.91
Dipole, Da:	3.27
IP(EA), eV:	-9.35(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-ethyl-3-oxopiperazin-1-yl)ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)NC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations