Geometry & MOs

Info

ID:	228000
PubChem CID:	87563204
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-42.59
Dipole, Da:	5.38
IP(EA), eV:	-8.54(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methoxy-3-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=CC3=C(C=C2)N(C=C3/C=N/O)C(C)C)C

DOS

IR

Vibrations