Geometry & MOs

Info

ID:	308063
PubChem CID:	125316804
Reduced:	Cl2N2O2C23H32 (1)
Stoich.:	A2B2C2D23E32 (1)
Weight, g/mol:	209.095297
ΔH_f, kcal/mol:	-91.62
Dipole, Da:	3.76
IP(EA), eV:	-8.57(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10aR)-1,4,5,10a-tetrahydropyrazolo[3,4-a]carbazole

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC[C@H]1CCCN2[C@@H]1CCCC2)OC3=CC=C(C=C3)[C@@H]4CC4(Cl)Cl

DOS

IR

Vibrations