Geometry & MOs

Info

ID:	256159
PubChem CID:	103137447
Reduced:	F2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-12.93
Dipole, Da:	5.92
IP(EA), eV:	-8.44(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bicyclo[4.1.0]heptanyl(isoquinolin-8-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations