Geometry & MOs

Info

ID:	169884
PubChem CID:	75161456
Reduced:	O4N6C27H42 (1)
Stoich.:	A4B6C27D42 (1)
Weight, g/mol:	534.331839
ΔH_f, kcal/mol:	-175.87
Dipole, Da:	5.34
IP(EA), eV:	-8.32(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)N1CCN(CC1)C2NC(CC(=O)N2)CN3CCN(CC3)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations