Geometry & MOs

Info

ID:	331798
PubChem CID:	127250082
Reduced:	O2F3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	447.175833
ΔH_f, kcal/mol:	-153.77
Dipole, Da:	4.84
IP(EA), eV:	-9.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2,6-difluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(4-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations