Geometry & MOs

Info

ID:	64774
PubChem CID:	29203982
Reduced:	BrSN2O4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-122.78
Dipole, Da:	3.76
IP(EA), eV:	-9.67(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)OC)Br

DOS

IR

Vibrations