Geometry & MOs

Info

ID:	257137
PubChem CID:	103143998
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	252.106277
ΔH_f, kcal/mol:	74.77
Dipole, Da:	5.73
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations