Geometry & MOs

Info

ID:	66110
PubChem CID:	46493490
Reduced:	BrSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	482.13174
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	4.29
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C(=O)NCC3=CC=CC=C3S(=O)(=O)N(C)C)Br

DOS

IR

Vibrations