Geometry & MOs

Info

ID:	59620
PubChem CID:	24890506
Reduced:	ClN3O4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	522.200938
ΔH_f, kcal/mol:	-111.13
Dipole, Da:	2.5
IP(EA), eV:	-7.96(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(butylamino)-2-methylpropoxy]-3-(4-chloro-2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3)OC

DOS

IR

Vibrations