Geometry & MOs

Info

ID:	291134
PubChem CID:	111677938
Reduced:	FO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	443.222035
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	3.63
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1)CNC(=NC)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations