Geometry & MOs

Info

ID:	435484
PubChem CID:	135191596
Reduced:	N2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	41.82
Dipole, Da:	4.6
IP(EA), eV:	-9.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-3-[(Z)-3-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-2-yl]oxyprop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)(C)C1=NN2C(=CC(=NC2=N1)C)C

DOS

IR

Vibrations