Geometry & MOs

Info

ID:	351338
PubChem CID:	127280226
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	393.08004
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	5.12
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=NC=CN3C

DOS

IR

Vibrations