Geometry & MOs

Info

ID:	198525
PubChem CID:	79113983
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	290.179442
ΔH_f, kcal/mol:	-39.22
Dipole, Da:	3.04
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminocyclohexyl)-N-ethyl-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N)C(=O)C2=CC(=CC=C2)N(C)C

DOS

IR

Vibrations