Geometry & MOs

Info

ID:	190709
PubChem CID:	78045954
Reduced:	FON7C30H34 (1)
Stoich.:	ABC7D30E34 (1)
Weight, g/mol:	369.134951
ΔH_f, kcal/mol:	1.62
Dipole, Da:	2.81
IP(EA), eV:	-8.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[5-fluoro-2-[(2-oxopyridin-3-ylidene)amino]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N)C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)F)C)C5=C6C(=CNC6=CC=C5)C

DOS

IR

Vibrations