Geometry & MOs

Info

ID:	291170
PubChem CID:	111678080
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	395.212139
ΔH_f, kcal/mol:	3.55
Dipole, Da:	2.11
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzylpyrazol-4-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC#C)OC1=CC=C(C=C1)F

DOS

IR

Vibrations