Geometry & MOs

Info

ID:	434992
PubChem CID:	135176385
Reduced:	BrNO3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	453.186398
ΔH_f, kcal/mol:	-86.82
Dipole, Da:	9.05
IP(EA), eV:	-9.19(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-tert-butylpyrazol-1-yl)-5-[[1-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CN(C)/C=C(\C=C(/C=O)\C(=O)O)/Br

DOS

IR

Vibrations