Geometry & MOs

Info

ID:	133377
PubChem CID:	51517739
Reduced:	N3O4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	224.118772
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	6.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.023940
Charge, e:	1

Chem-info

IUPAC name:

7-methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazol-10-ium

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1OC)[O-])C2=NC(=NC=C2C3=CC4=C(C=C3)OCCCO4)N

DOS

IR

Vibrations