Geometry & MOs

Info

ID:	423071
PubChem CID:	135118870
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	274.122989
ΔH_f, kcal/mol:	22.21
Dipole, Da:	5.48
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)C)C

DOS

IR

Vibrations