Geometry & MOs

Info

ID:	221846
PubChem CID:	85291281
Reduced:	NOCl2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	259.189592
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	4.79
IP(EA), eV:	-9.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[amino(methyl)carbamoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CNC(=O)C=C1CCC2=C1C(=CC(=C2)Cl)Cl

DOS

IR

Vibrations