Geometry & MOs

Info

ID:	291172
PubChem CID:	111681046
Reduced:	FON5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	3.4
IP(EA), eV:	-9.17(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-(isoquinolin-1-ylmethyl)guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)CN2C=CN=C2)NCC(C)OC3=CC(=CC=C3)F

DOS

IR

Vibrations