Geometry & MOs

Info

ID:	130720
PubChem CID:	51095840
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	19.51
Dipole, Da:	3.97
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations