Geometry & MOs

Info

ID:	444928
PubChem CID:	135264003
Reduced:	O3N5H29C31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	303.97087
ΔH_f, kcal/mol:	0.57
Dipole, Da:	5.25
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-5-nitro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=CC6=CC=CC=C6C=N5)C=C3)C)N=N1

DOS

IR

Vibrations