Geometry & MOs

Info

ID:	336421
PubChem CID:	127255428
Reduced:	ClO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	287.173273
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	7.33
IP(EA), eV:	-9.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[1-(hydroxymethyl)cyclopropyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=C(C(=C1)Cl)C#N

DOS

IR

Vibrations