Geometry & MOs

Info

ID:	238651
PubChem CID:	92764877
Reduced:	ClON4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	370.205656
ΔH_f, kcal/mol:	35.75
Dipole, Da:	1.24
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(CCN2C1)CC3=NC(=NO3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations