Geometry & MOs

Info

ID:	416304
PubChem CID:	135089317
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	357.107319
ΔH_f, kcal/mol:	-205.24
Dipole, Da:	4.3
IP(EA), eV:	-9.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=NC=CC(=C3)OC)O

DOS

IR

Vibrations