Geometry & MOs

Info

ID:	153959
PubChem CID:	56313314
Reduced:	BrN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	472.164363
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	9.43
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=CO2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations