Geometry & MOs

Info

ID:	256075
PubChem CID:	103136867
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	241.082682
ΔH_f, kcal/mol:	60.57
Dipole, Da:	2.11
IP(EA), eV:	-8.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2,2,2-trifluoroethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCNC(C1C2C1CCC2)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations