Geometry & MOs

Info

ID:	339801
PubChem CID:	127261810
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	24.08
Dipole, Da:	5.12
IP(EA), eV:	-9.35(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-amino-2-cyclohexylacetyl)amino]-3-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

C1C[C@]2(C[C@@H](ON2OC1)C#N)C3=CC=CC=C3

DOS

IR

Vibrations