Geometry & MOs

Info

ID:	344438
PubChem CID:	127267614
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-4.59
Dipole, Da:	5.9
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)C(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations