Geometry & MOs

Info

ID:	42929
PubChem CID:	10317213
Reduced:	BrSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	373.167794
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	4.27
IP(EA), eV:	-9.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethyl-3-methoxy-1-phenylcarbazole-9-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC23CCCCC3)Br

DOS

IR

Vibrations