Geometry & MOs

Info

ID:	157026
PubChem CID:	56413019
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	419.182062
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	6.8
IP(EA), eV:	-8.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[[2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)C4OCCO4)OC

DOS

IR

Vibrations