Geometry & MOs

Info

ID:	272257
PubChem CID:	103736986
Reduced:	NSF2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	225.103275
ΔH_f, kcal/mol:	-165.06
Dipole, Da:	8.95
IP(EA), eV:	-8.92(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methyl-N-[(1-methylcyclobutyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCC1)CNC2=CC=C(C=C2)S(=O)(=O)C(F)F

DOS

IR

Vibrations