Geometry & MOs

Info

ID:	142607
PubChem CID:	53066000
Reduced:	O3N7C23H25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	460.17467
ΔH_f, kcal/mol:	-21.89
Dipole, Da:	3.06
IP(EA), eV:	-8.76(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations