Geometry & MOs

Info

ID:	344429
PubChem CID:	127267605
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	4.49
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CC2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C)OC

DOS

IR

Vibrations