Geometry & MOs

Info

ID:	322867
PubChem CID:	126671489
Reduced:	ClFO3N6H30C31 (1)
Stoich.:	ABC3D6E30F31 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	5.95
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-amino-5-carbamoylpyridin-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCC5C[C@@H]5C6=CC=CC=C6Cl)F

DOS

IR

Vibrations