Geometry & MOs

Info

ID:	190072
PubChem CID:	77950119
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-7.57
Dipole, Da:	3.54
IP(EA), eV:	-8.32(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-aminopyridin-3-yl)-N-methyl-N-[(3-methyl-2,3-dihydro-1H-indol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1C2=C(CNC(C1=O)(C)C)C=C(C=N2)C=CC(=O)N(C)CC3=CC4=CC=CC=C4N3C

DOS

IR

Vibrations