Geometry & MOs

Info

ID:	88803
PubChem CID:	49956879
Reduced:	BrN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	438.03458
ΔH_f, kcal/mol:	-110.43
Dipole, Da:	3.73
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)C(=O)NC(C)C)C)Br

DOS

IR

Vibrations