Geometry & MOs

Info

ID:	175488
PubChem CID:	75910566
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	346.205656
ΔH_f, kcal/mol:	-116.15
Dipole, Da:	4.25
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-1-[3-(4-fluorophenyl)prop-2-enoylamino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1(CCCCC1)NC(=O)C=CC2=CC=CC=C2OC

DOS

IR

Vibrations