Geometry & MOs

Info

ID:	370878
PubChem CID:	127341199
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-62.83
Dipole, Da:	5.58
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-(2-ethyl-3-oxopiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)N2CCN(CC2)C3=C(N=C(O3)C)C#N

DOS

IR

Vibrations