Geometry & MOs

Info

ID:	383583
PubChem CID:	134975379
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	438.201553
ΔH_f, kcal/mol:	-116.15
Dipole, Da:	10.46
IP(EA), eV:	-9.52(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(dicyanomethyl)-1-ethoxycarbonylpiperidin-4-yl]-4-(dicyanomethylidene)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CCCC1=CC2=C(C=C1)C(=O)C3=C(C2=O)N(CCS3(=O)=O)C)C

DOS

IR

Vibrations