Geometry & MOs

Info

ID:	83378
PubChem CID:	49857516
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-30.62
Dipole, Da:	2.78
IP(EA), eV:	-9.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(naphthalen-2-ylmethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1)N2CC3C(C2)C3CN

DOS

IR

Vibrations