Geometry & MOs

Info

ID:	436574
PubChem CID:	135205584
Reduced:	SN4O6C17H18 (1)
Stoich.:	AB4C6D17E18 (1)
Weight, g/mol:	243.92906
ΔH_f, kcal/mol:	-79.96
Dipole, Da:	5.94
IP(EA), eV:	-9.46(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-chlorophenyl)prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)CC4=CC=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations