Geometry & MOs

Info

ID:	217754
PubChem CID:	85088328
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	395.146762
ΔH_f, kcal/mol:	-115.26
Dipole, Da:	4.01
IP(EA), eV:	-9.11(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(1,3-thiazol-2-yl)methanol

Drug info:

PubChemData

Smile

CN1C(C(CC(O1)C=CC2=CC=CC=C2)(C(=O)OC)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations