Geometry & MOs

Info

ID:	238837
PubChem CID:	93165585
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	3.65
IP(EA), eV:	-8.03(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[2-[(2R)-2-ethylpiperidin-1-yl]-2-methylpropanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1[C@@H](CN)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations