Geometry & MOs

Info

ID:	361459
PubChem CID:	127303547
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	394.096331
ΔH_f, kcal/mol:	-53.08
Dipole, Da:	4.67
IP(EA), eV:	-9.16(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CCOCC2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C

DOS

IR

Vibrations