Geometry & MOs

Info

ID:	378833
PubChem CID:	134224934
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	497.280218
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	1.92
IP(EA), eV:	-9.05(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-amino-1-(3-fluoro-4-methoxyphenyl)pentyl]-N-[(1Z,3E)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]penta-1,3-dienyl]formamide

Drug info:

PubChemData

Smile

CCCC1=NC(=C(O1)C(C)C)C

DOS

IR

Vibrations