Geometry & MOs

Info

ID:	366550
PubChem CID:	127320066
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	5.94
IP(EA), eV:	-9.09(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanopropanoyl)-N-cyclohexylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)CCN3C=CN=C3C(C)C

DOS

IR

Vibrations