Geometry & MOs

Info

ID:	425732
PubChem CID:	135127685
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	368.155849
ΔH_f, kcal/mol:	-30.5
Dipole, Da:	5.17
IP(EA), eV:	-8.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-3-sulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)OCC

DOS

IR

Vibrations