Geometry & MOs

Info

ID:	271017
PubChem CID:	103640333
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	5.75
IP(EA), eV:	-8.97(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)CN(C)C)C)Br

DOS

IR

Vibrations