Geometry & MOs

Info

ID:	83532
PubChem CID:	49857711
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	489.27399
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	6.82
IP(EA), eV:	-8.73(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylpropoxy)ethoxy]-2-[6-[(naphthalen-2-ylmethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C/C(=C\3/N=CC(=N3)[C@H]([C@@H]([C@@H](CO)O)O)O)/NO2

DOS

IR

Vibrations