Geometry & MOs

Info

ID:	149938
PubChem CID:	53789620
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	2.85
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanoethyl (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC2=CC=CC=C21)NCC(C3=CC(=C(C=C3)O)O)O

DOS

IR

Vibrations