Geometry & MOs

Info

ID:	433688
PubChem CID:	135173828
Reduced:	OSC8H10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	639.343407
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	4.4
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]pyrido[3,2-d]pyrimidin-7-yl]methylamino]propan-2-ol

Drug info:

PubChemData

Smile

C/C=C(/C)\C1=CCSC1=O

DOS

IR

Vibrations