Geometry & MOs

Info

ID:	192559
PubChem CID:	78286339
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	5.41
IP(EA), eV:	-10.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations