Geometry & MOs

Info

ID:	290979
PubChem CID:	111677745
Reduced:	FIO2N4C24H28 (1)
Stoich.:	ABC2D4E24F28 (1)
Weight, g/mol:	422.211804
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	2.86
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC=C(C=C1)CN2C=CC=CC2=O)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations