Geometry & MOs

Info

ID:	306126
PubChem CID:	125001692
Reduced:	FO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	2.93
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC=CN=C1[C@@H]2CN(CCO2)C(=O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations