Geometry & MOs

Info

ID:	269384
PubChem CID:	103617232
Reduced:	ClNSC10H16 (1)
Stoich.:	ABCD10E16 (1)
Weight, g/mol:	403.99219
ΔH_f, kcal/mol:	2.76
Dipole, Da:	1.88
IP(EA), eV:	-9.1(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-2,6-dibromophenol

Drug info:

PubChemData

Smile

CCCCNCCC1=CC=C(S1)Cl

DOS

IR

Vibrations