Geometry & MOs

Info

ID:	304380
PubChem CID:	124570909
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	3.99
IP(EA), eV:	-8.65(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methoxy-4-propoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=C(C1)C=CS2)NC3=NN(C=C3)CCC(=O)N

DOS

IR

Vibrations