Geometry & MOs

Info

ID:	256063
PubChem CID:	103136791
Reduced:	SO4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	281.132826
ΔH_f, kcal/mol:	-186.5
Dipole, Da:	7.64
IP(EA), eV:	-9.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(3-fluorophenyl)methyl]-8-N-methylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C(C(C)C)C(=O)O

DOS

IR

Vibrations