Geometry & MOs

Info

ID:	250118
PubChem CID:	103094287
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-36.74
Dipole, Da:	2.75
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-chloropyridin-2-yl)-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(CCCC(=O)NC1=C(C=CC=N1)Cl)N

DOS

IR

Vibrations