Geometry & MOs

Info

ID:	251777
PubChem CID:	103106854
Reduced:	N4O4C11H16 (1)
Stoich.:	A4B4C11D16 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	2.15
IP(EA), eV:	-9.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=C(NC=N1)C(=O)O

DOS

IR

Vibrations