Geometry & MOs

Info

ID:	40909
PubChem CID:	8144942
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	417.08406
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	1.67
IP(EA), eV:	-8.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-9-ethylcarbazole

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N3C=CC=CC3=N2

DOS

IR

Vibrations