Geometry & MOs

Info

ID:	148900
PubChem CID:	53788570
Reduced:	N2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	107.37
Dipole, Da:	1.72
IP(EA), eV:	-9.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-phenyl-2-(1-pyridin-3-ylethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC=NN2C3=CC=CC=C3

DOS

IR

Vibrations