Geometry & MOs

Info

ID:	153691
PubChem CID:	56312984
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	430.207942
ΔH_f, kcal/mol:	-62.36
Dipole, Da:	5.6
IP(EA), eV:	-9.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F)C3=CC=CO3

DOS

IR

Vibrations