Geometry & MOs

Info

ID:	309138
PubChem CID:	126538381
Reduced:	NC15H21 (2)
Stoich.:	AB15C21 (2)
Weight, g/mol:	503.196883
ΔH_f, kcal/mol:	6.34
Dipole, Da:	3.41
IP(EA), eV:	-7.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-cyclopropyl-5-(2-fluoro-4-methylanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C=C1CC)C3=CC(=C)C(=CN3C4C2CNCC4)C(=C)CCC

DOS

IR

Vibrations