Geometry & MOs

Info

ID:	344455
PubChem CID:	127267631
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	394.07529
ΔH_f, kcal/mol:	8.06
Dipole, Da:	3.79
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)N3CCN(CC3)CC4=NC(=NO4)C

DOS

IR

Vibrations