Geometry & MOs

Info

ID:	402237
PubChem CID:	135055106
Reduced:	BNO3C28H38 (1)
Stoich.:	ABC3D28E38 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	-174.82
Dipole, Da:	4.66
IP(EA), eV:	-8.43(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C(/CC)\C2=CC=C(C=C2)OCCN3CCCC3)/C4=CC=CC=C4

DOS

IR

Vibrations