Geometry & MOs

Info

ID:	55362
PubChem CID:	17395290
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	5.21
IP(EA), eV:	-8.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-N-propan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC2=NN(C=C2)C)C

DOS

IR

Vibrations