Geometry & MOs

Info

ID:	417696
PubChem CID:	135102505
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	310.035649
ΔH_f, kcal/mol:	-107.71
Dipole, Da:	1.46
IP(EA), eV:	-9.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(5-chloropyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations