Geometry & MOs

Info

ID:	243807
PubChem CID:	99239741
Reduced:	BrN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	427.05315
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	3.89
IP(EA), eV:	-9.16(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[4-(2-methoxyphenoxy)phenyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2=NNC(=C2Br)C3CC3

DOS

IR

Vibrations