Geometry & MOs

Info

ID:	309893
PubChem CID:	126565455
Reduced:	N4H8C11 (2)
Stoich.:	A4B8C11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	222.62
Dipole, Da:	8.07
IP(EA), eV:	-8.57(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-4-cyano-2-(1-phenylpropylamino)butanoate

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CN=C6)NN4)/C=C32

DOS

IR

Vibrations