Geometry & MOs

Info

ID:	39478
PubChem CID:	8140939
Reduced:	BrN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	370.08921
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	5.35
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC

DOS

IR

Vibrations