Geometry & MOs

Info

ID:	164032
PubChem CID:	74381574
Reduced:	ClF2O2N5H24C25 (1)
Stoich.:	AB2C2D5E24F25 (1)
Weight, g/mol:	480.188544
ΔH_f, kcal/mol:	-47.87
Dipole, Da:	4.87
IP(EA), eV:	-8.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,6-difluorophenyl)-6-[C-(4-fluorophenyl)-N-methoxycarbonimidoyl]-N-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C(C)(C)O)NC1=NC=C2C=C(N(C2=N1)C3=C(C=CC=C3F)F)C(=NOC)C4=CC=CC=C4Cl

DOS

IR

Vibrations