Geometry & MOs

Info

ID:	331696
PubChem CID:	127249779
Reduced:	F2O2N5H21C24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	448.202302
ΔH_f, kcal/mol:	-69.33
Dipole, Da:	2.81
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(1,5-dimethylpyrazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)F)C(=O)N3CCOC(C3)C4=NC(=CC=C4)NC5=NC=C(C=C5)F

DOS

IR

Vibrations