Geometry & MOs

Info

ID:	203177
PubChem CID:	79790639
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-91.1
Dipole, Da:	1.2
IP(EA), eV:	-9.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)C(C)OC1=CN=C(C=C1)CC(C)N

DOS

IR

Vibrations