Geometry & MOs

Info

ID:	32099
PubChem CID:	4266054
Reduced:	BrN2O6C27H31 (1)
Stoich.:	AB2C6D27E31 (1)
Weight, g/mol:	378.124739
ΔH_f, kcal/mol:	-161.78
Dipole, Da:	6.4
IP(EA), eV:	-8.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

COCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CO2)C(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations