Geometry & MOs

Info

ID:	366547
PubChem CID:	127320063
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	2.08
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)N2CCN(CC2)CC3=CN=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations