Geometry & MOs

Info

ID:	433674
PubChem CID:	135173814
Reduced:	OSC10H18 (1)
Stoich.:	ABC10D18 (1)
Weight, g/mol:	624.332508
ΔH_f, kcal/mol:	-77.44
Dipole, Da:	4.7
IP(EA), eV:	-9.07(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methylamino]ethanol

Drug info:

PubChemData

Smile

CC1CC(C(=O)SC1)C(C)(C)C

DOS

IR

Vibrations