Geometry & MOs

Info

ID:	360160
PubChem CID:	127300740
Reduced:	SO4N5C15H17 (1)
Stoich.:	AB4C5D15E17 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	10.0
IP(EA), eV:	-9.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations