Geometry & MOs

Info

ID:	69611
PubChem CID:	47205022
Reduced:	BrOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	22.57
Dipole, Da:	4.3
IP(EA), eV:	-9.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-4-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCC(=O)NCC2=CC=NN2)Br

DOS

IR

Vibrations