Geometry & MOs

Info

ID:	256257
PubChem CID:	103138021
Reduced:	SN2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	281.132826
ΔH_f, kcal/mol:	56.17
Dipole, Da:	3.0
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3=CC(=C(S3)C)C

DOS

IR

Vibrations