Geometry & MOs

Info

ID:	435076
PubChem CID:	135179916
Reduced:	F2O4N6C25H26 (1)
Stoich.:	A2B4C6D25E26 (1)
Weight, g/mol:	415.066589
ΔH_f, kcal/mol:	-117.95
Dipole, Da:	3.0
IP(EA), eV:	-8.44(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(3,3-difluorocyclobutyl)-3-imino-4-methylidenepyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)C2=NC(=C3C(=C2)C=NC(=N3)N[C@@H]4COC[C@@H]4NC(=O)C=C)N5CCC5)F)OC

DOS

IR

Vibrations