Geometry & MOs

Info

ID:	209863
PubChem CID:	80732870
Reduced:	ClOF3N3C12H13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	296.140389
ΔH_f, kcal/mol:	-172.41
Dipole, Da:	4.24
IP(EA), eV:	-9.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)N2CCC(CC2)C(F)(F)F

DOS

IR

Vibrations