Geometry & MOs

Info

ID:	336120
PubChem CID:	127255127
Reduced:	NO7H29C37 (1)
Stoich.:	AB7C29D37 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-132.39
Dipole, Da:	5.6
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC2=C1N3[C@H]([C@@H](C4(C3C=C2)C(=O)C5=CC=CC=C5C4=O)C6=C(C=C(C=C6)OC)OC)C(=O)C7=CC=CC=C7

DOS

IR

Vibrations