Geometry & MOs

Info

ID:	286850
PubChem CID:	104223213
Reduced:	O3N5H9C12 (1)
Stoich.:	A3B5C9D12 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	74.88
Dipole, Da:	9.46
IP(EA), eV:	-10.12(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]oxyphenyl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])OC2=NC=C(C=N2)CN

DOS

IR

Vibrations