Geometry & MOs

Info

ID:	378983
PubChem CID:	134228759
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	590.312915
ΔH_f, kcal/mol:	40.86
Dipole, Da:	8.66
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-5-methoxypyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)C(C)C)OC

DOS

IR

Vibrations