Geometry & MOs

Info

ID:	243808
PubChem CID:	99239742
Reduced:	BrN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	432.11609
ΔH_f, kcal/mol:	3.86
Dipole, Da:	7.13
IP(EA), eV:	-8.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations