Geometry & MOs

Info

ID:	210751
PubChem CID:	80851794
Reduced:	ClFN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	246.128075
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	1.7
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCNC2=NC(=NC=C2Cl)NC

DOS

IR

Vibrations