Geometry & MOs

Info

ID:	136833
PubChem CID:	52109269
Reduced:	Cl2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	423.182588
ΔH_f, kcal/mol:	59.96
Dipole, Da:	4.05
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]quinazolin-4-yl]morpholine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations