Geometry & MOs

Info

ID:	442812
PubChem CID:	135256360
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	552.203365
ΔH_f, kcal/mol:	9.01
Dipole, Da:	8.13
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyano-2-fluorophenyl)-6-[2-[[6-(methoxymethyl)pyridin-2-yl]methylimino]ethanehydrazonoyl]pyrimidin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC3=CC=CC=C3C(=C2)C4=C(C=C(C=C4)NC)NC1=O)N

DOS

IR

Vibrations