Geometry & MOs

Info

ID:	46760
PubChem CID:	10527064
Reduced:	O7C25H28 (1)
Stoich.:	A7B25C28 (1)
Weight, g/mol:	440.209993
ΔH_f, kcal/mol:	-280.14
Dipole, Da:	3.33
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC(=CCC1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(CC2=O)C4=CC(=C(C=C4)O)O)O)C

DOS

IR

Vibrations