Geometry & MOs

Info

ID:	256290
PubChem CID:	103138240
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	255.098332
ΔH_f, kcal/mol:	45.99
Dipole, Da:	4.2
IP(EA), eV:	-8.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3,3,3-trifluoropropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations