Geometry & MOs

Info

ID:	211446
PubChem CID:	80951627
Reduced:	ClSN4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	243.117176
ΔH_f, kcal/mol:	92.52
Dipole, Da:	1.0
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-6-(4-fluoro-3-methylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)SC2=CC(=NC(=N2)C3CC3)Cl)C

DOS

IR

Vibrations