Geometry & MOs

Info

ID:	355635
PubChem CID:	127289393
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	6.91
IP(EA), eV:	-9.08(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCC(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations