Geometry & MOs

Info

ID:	130950
PubChem CID:	51133993
Reduced:	BrClO2N3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	319.14514
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	5.38
IP(EA), eV:	-8.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pentan-3-amine

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=C(C=C1)Cl)NCC(=O)NCC(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations