Geometry & MOs

Info

ID:	197500
PubChem CID:	78971350
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-122.1
Dipole, Da:	4.48
IP(EA), eV:	-9.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclohexyl)methyl]but-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(C1)C(=O)C2(CCCCC2)C#N

DOS

IR

Vibrations