Geometry & MOs

Info

ID:	286838
PubChem CID:	104223142
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	11.52
Dipole, Da:	2.5
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-nitrophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)OC2=NC=C(C=N2)CN

DOS

IR

Vibrations