Geometry & MOs

Info

ID:	256074
PubChem CID:	103136866
Reduced:	N2F3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	266.178299
ΔH_f, kcal/mol:	-114.49
Dipole, Da:	5.03
IP(EA), eV:	-9.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-bicyclo[3.1.0]hexanyl(isoquinolin-8-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C(F)(F)F

DOS

IR

Vibrations