Geometry & MOs

Info

ID:	332126
PubChem CID:	127250412
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	444.196154
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	6.72
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=NN4)OCC(=O)N

DOS

IR

Vibrations