Geometry & MOs

Info

ID:	331230
PubChem CID:	127248637
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	3.43
IP(EA), eV:	-8.29(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(5-fluoro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(C=CC=N2)C(=O)N3CCOCC3)C(=O)CCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations