Geometry & MOs

Info

ID:	297523
PubChem CID:	117619722
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	608.145407
ΔH_f, kcal/mol:	16.08
Dipole, Da:	2.49
IP(EA), eV:	-8.69(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@H](CN1C)C2=CC=CC=C2)N

DOS

IR

Vibrations