Geometry & MOs

Info

ID:	154827
PubChem CID:	56314364
Reduced:	NF4O4C22H23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	430.244327
ΔH_f, kcal/mol:	-326.57
Dipole, Da:	2.18
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclohexyl(methyl)amino]propyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCOC(C2)C3=CC=C(C=C3)F)OCC(F)(F)F

DOS

IR

Vibrations