Geometry & MOs

Info

ID:	159503
PubChem CID:	57288270
Reduced:	ClN2O2C28H29 (1)
Stoich.:	AB2C2D28E29 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	2.87
IP(EA), eV:	-8.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1-oxopentan-2-yl) 2-ethylbutanoate

Drug info:

PubChemData

Smile

CCCC(C1=C(OC2=C1CCCC2)C=C3C4=C(C(=CC(=C4)Cl)C)NC3=O)NC5=CC=CC=C5

DOS

IR

Vibrations