Geometry & MOs

Info

ID:	71751
PubChem CID:	48415320
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	0.48
IP(EA), eV:	-9.01(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=COC=C2

DOS

IR

Vibrations