Geometry & MOs

Info

ID:	134904
PubChem CID:	51780141
Reduced:	N2O2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	402.324629
ΔH_f, kcal/mol:	-128.73
Dipole, Da:	3.82
IP(EA), eV:	-9.13(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-methylhexanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C)[C@H](C1=C(C=C(C=C1)C)C)C(=O)NC2CCCCC2

DOS

IR

Vibrations