Geometry & MOs

Info

ID:	423298
PubChem CID:	135119248
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	6.3
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=CN=C3)C(=O)O

DOS

IR

Vibrations