Geometry & MOs

Info

ID:	322610
PubChem CID:	126670646
Reduced:	ClFN2O3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	528.296122
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	5.23
IP(EA), eV:	-8.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-(dimethylamino)-4-indol-1-ylpyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2C1C2)C(=O)NC3=CC=CC(=C3F)C4=CC=CC=C4Cl

DOS

IR

Vibrations