Geometry & MOs

Info

ID:	250108
PubChem CID:	103094211
Reduced:	ClO2N3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	1.63
IP(EA), eV:	-9.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-chloropyridin-2-yl)-4-phenylbutanamide

Drug info:

PubChemData

Smile

C1COCC1(C(=O)NC2=C(C=CC=N2)Cl)N

DOS

IR

Vibrations