Geometry & MOs

Info

ID:	343523
PubChem CID:	127266696
Reduced:	OF3N6H13C14 (1)
Stoich.:	AB3C6D13E14 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-87.78
Dipole, Da:	10.84
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[6-(hydroxymethyl)pyridin-2-yl]methylamino]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)NCC3=NC(=CC=C3)CO)C(F)(F)F

DOS

IR

Vibrations