Geometry & MOs

Info

ID:	286847
PubChem CID:	104223190
Reduced:	FO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	8.17
IP(EA), eV:	-9.69(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-[(tert-butylamino)methyl]pyrimidin-2-yl]oxyphenyl]methanol

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations