Geometry & MOs

Info

ID:	331229
PubChem CID:	127248636
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	7.03
IP(EA), eV:	-9.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-3-yl)-1-[3-[3-(morpholine-4-carbonyl)pyridin-2-yl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)N2CCC(C2)C3=C(C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations