Geometry & MOs

Info

ID:	298668
PubChem CID:	117653761
Reduced:	SO2N7C19H21 (1)
Stoich.:	AB2C7D19E21 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	8.43
Dipole, Da:	1.07
IP(EA), eV:	-8.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=C3C(=NC(=N2)N)SC=N3)C(=O)NC4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations