Geometry & MOs

Info

ID:	83377
PubChem CID:	49857515
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-147.6
Dipole, Da:	5.5
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1)N2CC3C(C2)C3CNC(=O)OC(C)(C)C

DOS

IR

Vibrations