Geometry & MOs

Info

ID:	329788
PubChem CID:	127246655
Reduced:	OF3N6C24H25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	448.238688
ΔH_f, kcal/mol:	-106.12
Dipole, Da:	5.4
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[4-[6-[(5-fluoropyridin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)F)F)NC4=NC=C(C=C4)F

DOS

IR

Vibrations