Geometry & MOs

Info

ID:	445832
PubChem CID:	135269708
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	319.287515
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	6.2
IP(EA), eV:	-11.2(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[3-(2-methylbutyl)pyrrolidin-1-yl]methyl]cyclohexyl]pent-1-en-3-one

Drug info:

PubChemData

Smile

CC1CC(CC1OC#N)(C)COC#N

DOS

IR

Vibrations