Geometry & MOs

Info

ID:	355549
PubChem CID:	127289307
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	18.68
Dipole, Da:	2.97
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCC3=CSC=N3

DOS

IR

Vibrations