Geometry & MOs

Info

ID:	332047
PubChem CID:	127250333
Reduced:	ClO2N6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	445.18017
ΔH_f, kcal/mol:	40.88
Dipole, Da:	6.63
IP(EA), eV:	-9.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-(7-methoxy-3-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCN2C=NN=N2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations