Geometry & MOs

Info

ID:	258539
PubChem CID:	103154821
Reduced:	N2O2F3C12H21 (1)
Stoich.:	A2B2C3D12E21 (1)
Weight, g/mol:	282.155512
ΔH_f, kcal/mol:	-281.62
Dipole, Da:	5.14
IP(EA), eV:	-9.7(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1CCC(CC1)C(F)(F)F)CN

DOS

IR

Vibrations