Geometry & MOs

Info

ID:	70949
PubChem CID:	48414087
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-69.51
Dipole, Da:	3.8
IP(EA), eV:	-9.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations