Geometry & MOs

Info

ID:	233540
PubChem CID:	91145386
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	499.18829
ΔH_f, kcal/mol:	-187.55
Dipole, Da:	1.64
IP(EA), eV:	-9.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-(2,2,2-trifluoroethyl)carbamic acid

Drug info:

PubChemData

Smile

CC(=O)C1C(=O)C2=C(C=CC(=C2)C(=O)N3CCOCC3)OC14CCNCC4

DOS

IR

Vibrations