Geometry & MOs

Info

ID:	276997
PubChem CID:	103826188
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	181.101526
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	4.55
IP(EA), eV:	-9.1(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[(1-methylcyclopropyl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1(CCNC1)C(=O)NCCN(CC)C2CC2

DOS

IR

Vibrations