Geometry & MOs

Info

ID:	361312
PubChem CID:	127302507
Reduced:	O2F3N5C15H22 (1)
Stoich.:	A2B3C5D15E22 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-202.42
Dipole, Da:	9.46
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2=CN=C(C=C2)OCC(F)(F)F)C

DOS

IR

Vibrations