Geometry & MOs

Info

ID:	88818
PubChem CID:	49957007
Reduced:	BrN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-93.54
Dipole, Da:	4.01
IP(EA), eV:	-9.25(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepane-1-carbonyl)phenyl]-2-(2,6-dimethylphenoxy)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations