Geometry & MOs

Info

ID:	332919
PubChem CID:	127251343
Reduced:	OF2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	7.02
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C(C)(C)C3=CC=CC=C3F)NC4=NC=C(C=C4)F

DOS

IR

Vibrations