Geometry & MOs

Info

ID:	414418
PubChem CID:	135087376
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	354.09642
ΔH_f, kcal/mol:	-112.49
Dipole, Da:	3.52
IP(EA), eV:	-8.66(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(2-pyridin-2-ylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations