Geometry & MOs

Info

ID:	82695
PubChem CID:	49856359
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	8.09
Dipole, Da:	8.12
IP(EA), eV:	-9.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC=CC=C3)CN1C4=NC=C(C=N4)C(=O)O

DOS

IR

Vibrations