Geometry & MOs

Info

ID:	385910
PubChem CID:	134980303
Reduced:	N3C19H27 (1)
Stoich.:	A3B19C27 (1)
Weight, g/mol:	311.236148
ΔH_f, kcal/mol:	63.61
Dipole, Da:	5.67
IP(EA), eV:	-9.2(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-6-(3-methylpent-4-enyl)-2-pyrrolidin-1-ylcyclohex-3-ene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC(CCC1(CC=CC(C1(C#N)C#N)N2CCCC2)C)C=C

DOS

IR

Vibrations