Geometry & MOs

Info

ID:	126681
PubChem CID:	50973090
Reduced:	SN4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	76.43
Dipole, Da:	5.26
IP(EA), eV:	-8.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CCN2C=NC(=C2C3=CSC=C3)C4=CC=CC=C4

DOS

IR

Vibrations