Geometry & MOs

Info

ID:	344423
PubChem CID:	127267599
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-95.2
Dipole, Da:	3.29
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CCNC(=O)C3CCCCC3

DOS

IR

Vibrations