Geometry & MOs

Info

ID:	357104
PubChem CID:	127293174
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	2.32
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentanecarbonylamino)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)COC3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations