Geometry & MOs

Info

ID:	414979
PubChem CID:	135087959
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-128.45
Dipole, Da:	3.7
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(4-propan-2-ylphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations