Geometry & MOs

Info

ID:	156335
PubChem CID:	56370148
Reduced:	BrClN3O3C17H23 (1)
Stoich.:	ABC3D3E17F23 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-111.59
Dipole, Da:	3.36
IP(EA), eV:	-9.42(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCNC(=O)C1=C(N=CC(=C1)Br)Cl)C2CC2

DOS

IR

Vibrations