Geometry & MOs

Info

ID:	76066
PubChem CID:	48424380
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	-8.36
Dipole, Da:	8.41
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(cyclopropylmethoxy)propanoylamino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations