Geometry & MOs

Info

ID:	335602
PubChem CID:	127254464
Reduced:	OSN4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	440.194737
ΔH_f, kcal/mol:	55.7
Dipole, Da:	6.82
IP(EA), eV:	-8.28(-1.17)
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]-(2,3,4-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)CC3=CSC(=N3)C4=CC=CC=N4

DOS

IR

Vibrations