Geometry & MOs

Info

ID:	297492
PubChem CID:	117618950
Reduced:	FNOC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	146.084398
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	0.93
IP(EA), eV:	-9.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroisoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)[C@@]2(CC[C@H](C2)C3=NC=C(C=C3)F)C(=O)NO

DOS

IR

Vibrations