Geometry & MOs

Info

ID:	174819
PubChem CID:	75819414
Reduced:	FN3O5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	337.202836
ΔH_f, kcal/mol:	-223.28
Dipole, Da:	7.3
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-pyridin-4-yl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)F)NC(=O)NC2=CC=C(C=C2)CC(=O)NCC(=O)OC

DOS

IR

Vibrations