Geometry & MOs

Info

ID:	363024
PubChem CID:	127310049
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	7.78
IP(EA), eV:	-9.31(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CCC(=O)NC3

DOS

IR

Vibrations