Geometry & MOs

Info

ID:	139119
PubChem CID:	52475993
Reduced:	OSN3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	66.95
Dipole, Da:	7.04
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CC3=CSC(=N3)C4=CN=CC=C4

DOS

IR

Vibrations