Geometry & MOs

Info

ID:	361549
PubChem CID:	127303741
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-77.23
Dipole, Da:	5.93
IP(EA), eV:	-8.9(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCC3CCCCO3

DOS

IR

Vibrations