Geometry & MOs

Info

ID:	29706
PubChem CID:	836634
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-18.4
Dipole, Da:	3.54
IP(EA), eV:	-9.23(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S)-4-(3-nitrophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](N[C@@H](C2=C1NC=N2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations