Geometry & MOs

Info

ID:	332333
PubChem CID:	127250619
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	7.13
IP(EA), eV:	-8.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-2-[2-[6-(1H-pyrazol-5-yl)pyridin-2-yl]morpholine-4-carbonyl]-1H-indol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC=NN5

DOS

IR

Vibrations