Geometry & MOs

Info

ID:	164310
PubChem CID:	74382808
Reduced:	FPN5O12C20H25 (1)
Stoich.:	ABC5D12E20F25 (1)
Weight, g/mol:	405.177645
ΔH_f, kcal/mol:	-556.72
Dipole, Da:	4.69
IP(EA), eV:	-9.77(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C#CC1(C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3CO)N4CC(C(=O)NC4=O)F)O)O

DOS

IR

Vibrations