Geometry & MOs

Info

ID:	188107
PubChem CID:	77668184
Reduced:	ClO5N7H26C27 (1)
Stoich.:	AB5C7D26E27 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	5.92
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydroindeno[1,2-c]pyrazol-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=C(C=CC(=C4)Cl)OCC5=CC6=CC=CC=C6O5)O)N

DOS

IR

Vibrations