Geometry & MOs

Info

ID:	292206
PubChem CID:	114468597
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	6.54
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)[N+](=O)[O-])COCC2CNCCO2

DOS

IR

Vibrations