Geometry & MOs

Info

ID:	82230
PubChem CID:	49855785
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	7.77
Dipole, Da:	4.31
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-6-(naphthalene-2-carbonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NC(=O)C3=CC=CC=C3)CN1

DOS

IR

Vibrations