Geometry & MOs

Info

ID:	152605
PubChem CID:	56311576
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	8.28
IP(EA), eV:	-8.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C2=NN=C(O2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations