Geometry & MOs

Info

ID:	217156
PubChem CID:	85087347
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	7.42
IP(EA), eV:	-9.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-cyclopentyloxy-4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydroindazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C(C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)CC(=O)O

DOS

IR

Vibrations