Geometry & MOs

Info

ID:	347889
PubChem CID:	127272951
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	5.93
IP(EA), eV:	-9.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-[2-(4-methylpiperazin-1-yl)propanoylamino]phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC=C2O)C(=O)NC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations