Geometry & MOs

Info

ID:	317488
PubChem CID:	126638874
Reduced:	F5O5C10H13 (1)
Stoich.:	A5B5C10D13 (1)
Weight, g/mol:	326.114568
ΔH_f, kcal/mol:	-479.18
Dipole, Da:	4.15
IP(EA), eV:	-10.65(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-chloro-6-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=C)C(O)OC1(C(C(OCO1)(C(F)(F)F)O)(F)F)C

DOS

IR

Vibrations