Geometry & MOs

Info

ID:	385911
PubChem CID:	134980304
Reduced:	N3C20H29 (1)
Stoich.:	A3B20C29 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	58.53
Dipole, Da:	6.03
IP(EA), eV:	-9.21(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,6S)-1-cyano-6-methyl-6-pentyl-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC(C(C1(C)CCC(C)C=C)(C#N)C#N)N2CCCC2

DOS

IR

Vibrations