Geometry & MOs

Info

ID:	355604
PubChem CID:	127289362
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	46.0
Dipole, Da:	7.62
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations