Geometry & MOs

Info

ID:	120922
PubChem CID:	50750824
Reduced:	O3N6H26C28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	447.20591
ΔH_f, kcal/mol:	16.51
Dipole, Da:	5.33
IP(EA), eV:	-8.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-methyl-3-[pyridin-2-yl-(pyridin-2-ylamino)methyl]-1H-indol-5-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C3=NC(=NN3C=N2)C(C(C)C)N4C(=O)C5=CC=CC=C5C4=O)C6=CC(=CC=C6)OC)C

DOS

IR

Vibrations