Geometry & MOs

Info

ID:	158322
PubChem CID:	56463356
Reduced:	BrSN2O3C16H23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-96.11
Dipole, Da:	3.18
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CS(=O)(=O)CC1=CC(=CC=C1)Br)N(C)C2CC2

DOS

IR

Vibrations