Geometry & MOs

Info

ID:	194627
PubChem CID:	78565220
Reduced:	NF3O5C28H28 (1)
Stoich.:	AB3C5D28E28 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-307.79
Dipole, Da:	5.3
IP(EA), eV:	-8.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)N=C1C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations