Geometry & MOs

Info

ID:	343525
PubChem CID:	127266698
Reduced:	OF3N6H13C14 (1)
Stoich.:	AB3C6D13E14 (1)
Weight, g/mol:	347.159354
ΔH_f, kcal/mol:	-100.53
Dipole, Da:	10.04
IP(EA), eV:	-9.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[6-(2-methoxyethoxy)pyridazin-3-yl]methylamino]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)NCCC3=CNC(=O)C=C3)C(F)(F)F

DOS

IR

Vibrations