Geometry & MOs

Info

ID:	331808
PubChem CID:	127250092
Reduced:	F2O2N4H22C25 (1)
Stoich.:	A2B2C4D22E25 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-72.1
Dipole, Da:	6.18
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=C(C=CC=C5F)F

DOS

IR

Vibrations