Geometry & MOs

Info

ID:	405245
PubChem CID:	135073184
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	4.91
IP(EA), eV:	-9.66(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4,4-dimethyl-2-(pyridine-2-carbonylamino)pentanoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(CCCC#C)C(=O)C

DOS

IR

Vibrations