Geometry & MOs

Info

ID:	158666
PubChem CID:	56464550
Reduced:	BrO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	409.12269
ΔH_f, kcal/mol:	-38.83
Dipole, Da:	3.67
IP(EA), eV:	-10.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations