Geometry & MOs

Info

ID:	323553
PubChem CID:	126675442
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	425.304228
ΔH_f, kcal/mol:	2.92
Dipole, Da:	6.37
IP(EA), eV:	-9.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[4-[1-methyl-4-(pyrrolidin-3-yloxymethyl)cyclohexa-2,4-dien-1-yl]phenyl]ethyl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCN2C(C=N2)N

DOS

IR

Vibrations