Geometry & MOs

Info

ID:	207134
PubChem CID:	80351896
Reduced:	FN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	253.044046
ΔH_f, kcal/mol:	5.84
Dipole, Da:	5.03
IP(EA), eV:	-8.98(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCNCC2=NN(C=C2)C

DOS

IR

Vibrations