Geometry & MOs

Info

ID:	357251
PubChem CID:	127293784
Reduced:	F2O2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-159.23
Dipole, Da:	2.34
IP(EA), eV:	-8.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)CNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations