Geometry & MOs

Info

ID:	309432
PubChem CID:	126546238
Reduced:	OPN6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	71.73
Dipole, Da:	5.2
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-5-fluoro-4-[2-[2-(3-methoxypyridin-2-yl)propan-2-ylamino]pyrimidin-5-yl]-2-methylideneocta-3,5-dienenitrile

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=NC=C(C=N2)C3=CC(=NC=C3)C(=O)N)C4=C(C=CC=N4)P

DOS

IR

Vibrations