Geometry & MOs

Info

ID:	214174
PubChem CID:	81087214
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	201.147727
ΔH_f, kcal/mol:	-171.92
Dipole, Da:	9.94
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl)CN

DOS

IR

Vibrations